File: dvb_sp_un.out

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                                 *****************
                                 * O   R   C   A *
                                 *****************

           --- An Ab Initio, DFT and Semiempirical electronic structure package ---

                  #######################################################
                  #                        -***-                        #
                  #  Department of molecular theory and spectroscopy    #
                  #              Directorship: Frank Neese              #
                  # Max Planck Institute for Chemical Energy Conversion #
                  #                  D-45470 Muelheim/Ruhr              #
                  #                       Germany                       #
                  #                                                     #
                  #                  All rights reserved                #
                  #                        -***-                        #
                  #######################################################


                         Program Version 4.0.1 -  RELEASE  -


 With contributions from (in alphabetic order):
   Daniel Aravena         : Magnetic Properties
   Michael Atanasov       : Ab Initio Ligand Field Theory
   Ute Becker             : Parallelization
   Martin Brehm           : Molecular dynamics
   Dmytro Bykov           : SCF Hessian
   Vijay G. Chilkuri      : MRCI spin determinant printing
   Dipayan Datta          : RHF DLPNO-CCSD density
   Achintya Kumar Dutta   : EOM-CC, STEOM-CC
   Dmitry Ganyushin       : Spin-Orbit,Spin-Spin,Magnetic field MRCI
   Yang Guo               : DLPNO-NEVPT2, CIM, IAO-localization
   Andreas Hansen         : Spin unrestricted coupled pair/coupled cluster methods
   Lee Huntington         : MR-EOM, pCC
   Robert Izsak           : Overlap fitted RIJCOSX, COSX-SCS-MP3, EOM
   Christian Kollmar      : KDIIS, OOCD, Brueckner-CCSD(T), CCSD density
   Simone Kossmann        : Meta GGA functionals, TD-DFT gradient, OOMP2, MP2 Hessian
   Martin Krupicka        : AUTO-CI
   Dagmar Lenk            : GEPOL surface
   Dimitrios Liakos       : Extrapolation schemes; parallel MDCI
   Dimitrios Manganas     : ROCIS; embedding schemes
   Dimitrios Pantazis     : SARC Basis sets
   Taras Petrenko         : DFT Hessian,TD-DFT gradient, ASA, ECA, R-Raman, ABS, FL, XAS/XES, NRVS
   Peter Pinski           : DLPNO-MP2
   Christoph Reimann      : Effective Core Potentials
   Marius Retegan         : Local ZFS, SOC
   Christoph Riplinger    : Optimizer, TS searches, QM/MM, DLPNO-CCSD(T), (RO)-DLPNO pert. Triples
   Tobias Risthaus        : Range-separated hybrids, TD-DFT gradient, RPA, STAB
   Michael Roemelt        : Restricted open shell CIS
   Masaaki Saitow         : Open-shell DLPNO
   Barbara Sandhoefer     : DKH picture change effects
   Kantharuban Sivalingam : CASSCF convergence, NEVPT2, FIC-MRCI
   Georgi Stoychev        : AutoAux
   Boris Wezisla          : Elementary symmetry handling
   Frank Wennmohs         : Technical directorship


 We gratefully acknowledge several colleagues who have allowed us to
 interface, adapt or use parts of their codes:
   Stefan Grimme, W. Hujo, H. Kruse,             : VdW corrections, initial TS optimization,
                  C. Bannwarth                     DFT functionals, gCP, sTDA/sTD-DF
   Ed Valeev                                     : LibInt (2-el integral package), F12 methods
   Garnet Chan, S. Sharma, J. Yang, R. Olivares  : DMRG
   Ulf Ekstrom                                   : XCFun DFT Library
   Mihaly Kallay                                 : mrcc  (arbitrary order and MRCC methods)
   Andreas Klamt, Michael Diedenhofen            : otool_cosmo (COSMO solvation model)
   Jiri Pittner, Ondrej Demel                    : Mk-CCSD
   Frank Weinhold                                : gennbo (NPA and NBO analysis)
   Christopher J. Cramer and Donald G. Truhlar   : smd solvation model


 Your calculation uses the libint2 library for the computation of 2-el integrals
 For citations please refer to: http://libint.valeyev.net

 This ORCA versions uses:
   CBLAS   interface :  Fast vector & matrix operations
   LAPACKE interface :  Fast linear algebra routines
   SCALAPACK package :  Parallel linear algebra routines


Your calculation utilizes the basis: STO-3G
   H-Ne       : W. J. Hehre, R. F. Stewart and J. A. Pople, J. Chem. Phys. 2657 (1969).
   Na-Ar      : W. J. Hehre, R. Ditchfield, R. F. Stewart and J. A. Pople, J. Chem. Phys. 2769 (1970).
   K,Ca,Ga-Kr : W. J. Pietro, B. A. Levy, W. J. Hehre and R. F. Stewart, J. Am. Chem. Soc. 19, 2225 (1980).
   Sc-Zn,Y-Cd : W. J. Pietro and W. J. Hehre, J. Comp. Chem. 4, 241 (1983).

================================================================================
                                        WARNINGS
                       Please study these warnings very carefully!
================================================================================

Warning: TCutStore was < 0. Adjusted to Thresh (uncritical)

INFO   : the flag for use of LIBINT has been found!

================================================================================
                                       INPUT FILE
================================================================================
NAME = dvb_sp_un.in
|  1> ! uks b3lyp sto-3g usesym
|  2> 
|  3> %output
|  4>  printlevel normal
|  5>  print[ p_basis ] 2
|  6>  print[ p_mos ] 1
|  7>  print[ p_overlap ] 1
|  8>  end 
|  9> 
| 10> * xyz 1 2
| 11>  C       -1.4152533224   0.2302217854   0.0000000000
| 12>  C        1.4152533224  -0.2302217854   0.0000000000
| 13>  C       -0.4951331558   1.3144608674   0.0000000000
| 14>  C        0.4951331558  -1.3144608674   0.0000000000
| 15>  C        0.8894090436   1.0909493743   0.0000000000
| 16>  C       -0.8894090436  -1.0909493743   0.0000000000
| 17>  H       -0.8795511985   2.3437343748   0.0000000000
| 18>  H        0.8795511985  -2.3437343748   0.0000000000
| 19>  H        1.5779041557   1.9450061275   0.0000000000
| 20>  H       -1.5779041557  -1.9450061275   0.0000000000
| 21>  C        2.8845844962  -0.5210893778   0.0000000000
| 22>  C       -2.8845844962   0.5210893778   0.0000000000
| 23>  H        3.1403356810  -1.5919605685   0.0000000000
| 24>  H       -3.1403356810   1.5919605685   0.0000000000
| 25>  C        3.8800428103   0.3822535424   0.0000000000
| 26>  C       -3.8800428103  -0.3822535424   0.0000000000
| 27>  H        3.6946765858   1.4624389570   0.0000000000
| 28>  H       -3.6946765858  -1.4624389570   0.0000000000
| 29>  H        4.9316453546   0.0711049543   0.0000000000
| 30>  H       -4.9316453546  -0.0711049543   0.0000000000
| 31> *
| 32> 
| 33>                          ****END OF INPUT****
================================================================================

------------------------------------------------------------------------------
                            SYMMETRY HANDLING SETUP
------------------------------------------------------------------------------

------------------
SYMMETRY DETECTION
------------------
Preparing Data                    ... done
Detection Threshold:    SymThresh ... 1.0000e-04

Point Group will now be determined:
Total Mass                        ...   130.1900 amu
Center of Mass                    ...   0.00000000   0.00000000   0.00000000
Moving molecule to center of mass ... done
Searching for symmetry axes       ...

 #  N FMOD  D1  D2  D3       AX           AY           AZ
 1. 2 ZNOR               -0.00000000   0.00000000   1.00000000

Axis search                       ... found 1 axis
Sorting Axes                      ... done
Point group main block by axes    ... Cn/S2n (rotational) Block
Rotation reflection to main axis  ... no
Reflection perp. to main axis     ... yes

POINT GROUP                       ... C2h

The coordinates will now be cleaned:
Moving to standard coord frame    ... done
(Changed main axis to z and atom 0 to xz plane)
Structure cleanup requested       ... yes
Selected point group              ... C2h
Cleaning Tolerance      SymThresh ... 1.0000e-04

Some missing point group data is constructed:
Constructing symmetry operations  ... done
Creating atom transfer table      ... done
Creating asymmetric unit          ... done

Cleaning asymmetric atoms and generating dependant atoms trough symmetry:

 ASU ... GENERATED (= SYMMETRICALLY EQUIVALENT) ATOMS
   0 ...   1 
   2 ...   3 
   4 ...   5 
   6 ...   7 
   8 ...   9 
  10 ...  11 
  12 ...  13 
  14 ...  15 
  16 ...  17 
  18 ...  19 

----------------------
ASYMMETRIC UNIT IN C2h
----------------------
  #  AT     MASS              COORDS (A.U.)             BAS
   0 C   12.0110   2.70959582  -0.00000000   0.00000000   0
   2 C   12.0110   1.32235614  -2.30151198   0.00000000   0
   4 C   12.0110  -1.32792101  -2.30470981   0.00000000   0
   6 H    1.0080   2.35167487  -4.10468288   0.00000000   0
   8 H    1.0080  -2.35297283  -4.10660479   0.00000000   0
  10 C   12.0110  -5.53845907   0.09670895   0.00000000   0
  12 H    1.0080  -6.34040870   2.01650789   0.00000000   0
  14 C   12.0110  -7.12110704  -1.89025282   0.00000000   0
  16 H    1.0080  -6.44761395  -3.84878071   0.00000000   0
  18 H    1.0080  -9.17697286  -1.62896969   0.00000000   0

-----------------------------------------------
SYMMETRY-PERFECTED CARTESIAN COORDINATES (A.U.)
-----------------------------------------------
   0 C     2.70959582  -0.00000000   0.00000000 
   1 C    -2.70959582   0.00000000   0.00000000 
   2 C     1.32235614  -2.30151198   0.00000000 
   3 C    -1.32235614   2.30151198   0.00000000 
   4 C    -1.32792101  -2.30470981   0.00000000 
   5 C     1.32792101   2.30470981   0.00000000 
   6 H     2.35167487  -4.10468288   0.00000000 
   7 H    -2.35167487   4.10468288   0.00000000 
   8 H    -2.35297283  -4.10660479   0.00000000 
   9 H     2.35297283   4.10660479   0.00000000 
  10 C    -5.53845907   0.09670895   0.00000000 
  11 C     5.53845907  -0.09670895   0.00000000 
  12 H    -6.34040870   2.01650789   0.00000000 
  13 H     6.34040870  -2.01650789   0.00000000 
  14 C    -7.12110704  -1.89025282   0.00000000 
  15 C     7.12110704   1.89025282   0.00000000 
  16 H    -6.44761395  -3.84878071   0.00000000 
  17 H     6.44761395   3.84878071   0.00000000 
  18 H    -9.17697286  -1.62896969   0.00000000 
  19 H     9.17697286   1.62896969   0.00000000 

------------------
SYMMETRY REDUCTION
------------------
ORCA supports only abelian point groups.
It is now checked, if the determined point group is supported:
Point Group ( C2h   ) is          ... supported

(Re)building abelian point group:
Creating Character Table          ... done
Making direct product table       ... done

----------------------------
CHARACTER TABLE OF GROUP C2h
----------------------------
GAMMA  O1   O2   O3   O4  
 Ag :  1.0  1.0  1.0  1.0 
 Bg :  1.0 -1.0  1.0 -1.0 
 Au :  1.0  1.0 -1.0 -1.0 
 Bu :  1.0 -1.0 -1.0  1.0 

---------------------------------
DIRECT PRODUCT TABLE OF GROUP C2h
---------------------------------
   **   Ag  Bg  Au  Bu  

 Ag     Ag  Bg  Au  Bu  
 Bg     Bg  Ag  Bu  Au  
 Au     Au  Bu  Ag  Bg  
 Bu     Bu  Au  Bg  Ag  

-------------------
ATOM TRANSFER TABLE
-------------------
       O01 O02 O03 O04 
   0 :   0   1   1   0 
   1 :   1   0   0   1 
   2 :   2   3   3   2 
   3 :   3   2   2   3 
   4 :   4   5   5   4 
   5 :   5   4   4   5 
   6 :   6   7   7   6 
   7 :   7   6   6   7 
   8 :   8   9   9   8 
   9 :   9   8   8   9 
  10 :  10  11  11  10 
  11 :  11  10  10  11 
  12 :  12  13  13  12 
  13 :  13  12  12  13 
  14 :  14  15  15  14 
  15 :  15  14  14  15 
  16 :  16  17  17  16 
  17 :  17  16  16  17 
  18 :  18  19  19  18 
  19 :  19  18  18  19 

----------------------
ASYMMETRIC UNIT IN C2h
----------------------
  #  AT     MASS              COORDS (A.U.)             BAS
   0 C   12.0110   2.70959582  -0.00000000   0.00000000   0
   2 C   12.0110   1.32235614  -2.30151198   0.00000000   0
   4 C   12.0110  -1.32792101  -2.30470981   0.00000000   0
   6 H    1.0080   2.35167487  -4.10468288   0.00000000   0
   8 H    1.0080  -2.35297283  -4.10660479   0.00000000   0
  10 C   12.0110  -5.53845907   0.09670895   0.00000000   0
  12 H    1.0080  -6.34040870   2.01650789   0.00000000   0
  14 C   12.0110  -7.12110704  -1.89025282   0.00000000   0
  16 H    1.0080  -6.44761395  -3.84878071   0.00000000   0
  18 H    1.0080  -9.17697286  -1.62896969   0.00000000   0

----------------------
SYMMETRY ADAPTED BASIS
----------------------
The coefficients for the symmetry adapted linear combinations (SALCS)
of basis functions will now be computed:
Number of basis functions         ...    60
Preparing memory                  ... done
Constructing Gamma(red)           ... done

Gamma(red) = {   60,    0,    0,   40}

Reducing Gamma(red)               ... done

Gamma(red) = 25 Ag + 5 Bg + 5 Au + 25 Bu 

Constructing SALCs                ... done
Checking SALC integrity           ... nothing suspicious
Normalizing SALCs                 ... done

Storing the symmetry object:
Symmetry file                     ... dvb_sp_un.sym.tmp
Writing symmetry information      ... done

                       ****************************
                       * Single Point Calculation *
                       ****************************

---------------------------------
CARTESIAN COORDINATES (ANGSTROEM)
---------------------------------
  C      1.433856   -0.000000    0.000000
  C     -1.433856    0.000000    0.000000
  C      0.699761   -1.217908    0.000000
  C     -0.699761    1.217908    0.000000
  C     -0.702706   -1.219600    0.000000
  C      0.702706    1.219600    0.000000
  H      1.244453   -2.172105    0.000000
  H     -1.244453    2.172105    0.000000
  H     -1.245140   -2.173122    0.000000
  H      1.245140    2.173122    0.000000
  C     -2.930826    0.051176    0.000000
  C      2.930826   -0.051176    0.000000
  H     -3.355200    1.067090    0.000000
  H      3.355200   -1.067090    0.000000
  C     -3.768328   -1.000279    0.000000
  C      3.768328    1.000279    0.000000
  H     -3.411930   -2.036687    0.000000
  H      3.411930    2.036687    0.000000
  H     -4.856245   -0.862014    0.000000
  H      4.856245    0.862014    0.000000

----------------------------
CARTESIAN COORDINATES (A.U.)
----------------------------
  NO LB      ZA    FRAG     MASS         X           Y           Z
   0 C     6.0000    0    12.011    2.709596   -0.000000    0.000000
   1 C     6.0000    0    12.011   -2.709596    0.000000    0.000000
   2 C     6.0000    0    12.011    1.322356   -2.301512    0.000000
   3 C     6.0000    0    12.011   -1.322356    2.301512    0.000000
   4 C     6.0000    0    12.011   -1.327921   -2.304710    0.000000
   5 C     6.0000    0    12.011    1.327921    2.304710    0.000000
   6 H     1.0000    0     1.008    2.351675   -4.104683    0.000000
   7 H     1.0000    0     1.008   -2.351675    4.104683    0.000000
   8 H     1.0000    0     1.008   -2.352973   -4.106605    0.000000
   9 H     1.0000    0     1.008    2.352973    4.106605    0.000000
  10 C     6.0000    0    12.011   -5.538459    0.096709    0.000000
  11 C     6.0000    0    12.011    5.538459   -0.096709    0.000000
  12 H     1.0000    0     1.008   -6.340409    2.016508    0.000000
  13 H     1.0000    0     1.008    6.340409   -2.016508    0.000000
  14 C     6.0000    0    12.011   -7.121107   -1.890253    0.000000
  15 C     6.0000    0    12.011    7.121107    1.890253    0.000000
  16 H     1.0000    0     1.008   -6.447614   -3.848781    0.000000
  17 H     1.0000    0     1.008    6.447614    3.848781    0.000000
  18 H     1.0000    0     1.008   -9.176973   -1.628970    0.000000
  19 H     1.0000    0     1.008    9.176973    1.628970    0.000000

--------------------------------
INTERNAL COORDINATES (ANGSTROEM)
--------------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 C      1   0   0     2.867712703209     0.00000000     0.00000000
 C      1   2   0     1.422039207589    58.92046780     0.00000000
 C      2   1   3     1.422039207589    58.92046780   180.00000000
 C      3   1   2     1.402467286416   121.14866524     0.00000000
 C      4   2   1     1.402467286416   121.14866524     0.00000000
 H      3   1   2     1.098717973180   119.20109491   180.00000000
 H      4   2   1     1.098717973180   119.20109491   180.00000000
 H      5   3   1     1.097013426113   119.70357006   180.00000000
 H      6   4   2     1.097013426113   119.70357006   180.00000000
 C      2   1   3     1.497844469432   178.04202002   180.00000000
 C      1   2   3     1.497844469432   178.04202002     0.00000000
 H     11   2   5     1.100987636442   114.62953459   180.00000000
 H     12   1   6     1.100987636442   114.62953459   180.00000000
 C     11   2   5     1.344234237991   126.57992264     0.00000000
 C     12   1   6     1.344234237991   126.57992264     0.00000000
 H     15  11   2     1.095974984705   122.48517186     0.00000000
 H     16  12   1     1.095974984705   122.48517186     0.00000000
 H     15  11   2     1.096668297643   121.29492471   180.00000121
 H     16  12   1     1.096668297643   121.29492471   180.00000121

---------------------------
INTERNAL COORDINATES (A.U.)
---------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 C      1   0   0     5.419191639833     0.00000000     0.00000000
 C      1   2   0     2.687264654042    58.92046780     0.00000000
 C      2   1   3     2.687264654042    58.92046780   180.00000000
 C      3   1   2     2.650279083110   121.14866524     0.00000000
 C      4   2   1     2.650279083110   121.14866524     0.00000000
 H      3   1   2     2.076276067727   119.20109491   180.00000000
 H      4   2   1     2.076276067727   119.20109491   180.00000000
 H      5   3   1     2.073054940588   119.70357006   180.00000000
 H      6   4   2     2.073054940588   119.70357006   180.00000000
 C      2   1   3     2.830515838436   178.04202002   180.00000000
 C      1   2   3     2.830515838436   178.04202002     0.00000000
 H     11   2   5     2.080565109708   114.62953459   180.00000000
 H     12   1   6     2.080565109708   114.62953459   180.00000000
 C     11   2   5     2.540234569643   126.57992264     0.00000000
 C     12   1   6     2.540234569643   126.57992264     0.00000000
 H     15  11   2     2.071092570722   122.48517186     0.00000000
 H     16  12   1     2.071092570722   122.48517186     0.00000000
 H     15  11   2     2.072402742299   121.29492471   180.00000121
 H     16  12   1     2.072402742299   121.29492471   180.00000121

---------------------
BASIS SET INFORMATION
---------------------
There are 2 groups of distinct atoms

 Group   1 Type C   : 6s3p contracted to 2s1p pattern {33/3}
 Group   2 Type H   : 3s contracted to 1s pattern {3}

Atom   0C    basis set group =>   1
Atom   1C    basis set group =>   1
Atom   2C    basis set group =>   1
Atom   3C    basis set group =>   1
Atom   4C    basis set group =>   1
Atom   5C    basis set group =>   1
Atom   6H    basis set group =>   2
Atom   7H    basis set group =>   2
Atom   8H    basis set group =>   2
Atom   9H    basis set group =>   2
Atom  10C    basis set group =>   1
Atom  11C    basis set group =>   1
Atom  12H    basis set group =>   2
Atom  13H    basis set group =>   2
Atom  14C    basis set group =>   1
Atom  15C    basis set group =>   1
Atom  16H    basis set group =>   2
Atom  17H    basis set group =>   2
Atom  18H    basis set group =>   2
Atom  19H    basis set group =>   2

-------------------------
BASIS SET IN INPUT FORMAT
-------------------------

 # Basis set for element : H 
 NewGTO H 
 S 3 
   1       3.4252509100      0.1543289707
   2       0.6239137300      0.5353281424
   3       0.1688554000      0.4446345420
  end;

 # Basis set for element : C 
 NewGTO C 
 S 3 
   1      71.6168370000      0.1543289700
   2      13.0450960000      0.5353281400
   3       3.5305122000      0.4446345400
 S 3 
   1       2.9412494000     -0.0999672301
   2       0.6834831000      0.3995128303
   3       0.2222899000      0.7001154705
 P 3 
   1       2.9412494000      0.1559162721
   2       0.6834831000      0.6076837282
   3       0.2222899000      0.3919573953
  end;

------------------------------------------------------------------------------
                           ORCA GTO INTEGRAL CALCULATION
------------------------------------------------------------------------------

                         BASIS SET STATISTICS AND STARTUP INFO

 # of primitive gaussian shells          ...  120
 # of primitive gaussian functions       ...  180
 # of contracted shells                  ...   40
 # of contracted basis functions         ...   60
 Highest angular momentum                ...    1
 Maximum contraction depth               ...    3
 Integral package used                   ... LIBINT
 Integral threshhold            Thresh   ...  1.000e-10
 Primitive cut-off              TCut     ...  1.000e-11


------------------------------ INTEGRAL EVALUATION ----------------------------


 * One electron integrals 
 Pre-screening matrix                    ... done
 Shell pair data                         ... done (   0.001 sec)

-------------------------------------------------------------------------------
                                 ORCA SCF
-------------------------------------------------------------------------------

------------
SCF SETTINGS
------------
Hamiltonian:
 Density Functional     Method          .... DFT(GTOs)
 Exchange Functional    Exchange        .... B88
   X-Alpha parameter    XAlpha          ....  0.666667
   Becke's b parameter  XBeta           ....  0.004200
 Correlation Functional Correlation     .... LYP
 LDA part of GGA corr.  LDAOpt          .... VWN-5
 Gradients option       PostSCFGGA      .... off
 Hybrid DFT is turned on
   Fraction HF Exchange ScalHFX         ....  0.200000
   Scaling of DF-GGA-X  ScalDFX         ....  0.720000
   Scaling of DF-GGA-C  ScalDFC         ....  0.810000
   Scaling of DF-LDA-C  ScalLDAC        ....  1.000000
   Perturbative correction              ....  0.000000
   NL short-range parameter             ....  4.800000


General Settings:
 Integral files         IntName         .... dvb_sp_un
 Hartree-Fock type      HFTyp           .... UHF
 Total Charge           Charge          ....    1
 Multiplicity           Mult            ....    2
 Number of Electrons    NEL             ....   69
 Basis Dimension        Dim             ....   60
 Nuclear Repulsion      ENuc            ....    445.9369778699 Eh

 Symmetry handling      UseSym         .... ON
 Point group                           .... C2h
 Used point group                      .... C2h
 Number of irreps                      .... 4
   Irrep   Ag has   25 symmetry adapted basis functions (ofs=   0)
   Irrep   Bg has    5 symmetry adapted basis functions (ofs=  25)
   Irrep   Au has    5 symmetry adapted basis functions (ofs=  30)
   Irrep   Bu has   25 symmetry adapted basis functions (ofs=  35)

Convergence Acceleration:
 DIIS                   CNVDIIS         .... on
   Start iteration      DIISMaxIt       ....    12
   Startup error        DIISStart       ....  0.200000
   # of expansion vecs  DIISMaxEq       ....     5
   Bias factor          DIISBfac        ....   1.050
   Max. coefficient     DIISMaxC        ....  10.000
 Newton-Raphson         CNVNR           .... off
 SOSCF                  CNVSOSCF        .... off
 Level Shifting         CNVShift        .... on
   Level shift para.    LevelShift      ....    0.2500
   Turn off err/grad.   ShiftErr        ....    0.0010
 Zerner damping         CNVZerner       .... off
 Static damping         CNVDamp         .... on
   Fraction old density DampFac         ....    0.7000
   Max. Damping (<1)    DampMax         ....    0.9800
   Min. Damping (>=0)   DampMin         ....    0.0000
   Turn off err/grad.   DampErr         ....    0.1000
 Fernandez-Rico         CNVRico         .... off

SCF Procedure:
 Maximum # iterations   MaxIter         ....   125
 SCF integral mode      SCFMode         .... Direct
   Integral package                     .... LIBINT
 Reset frequeny         DirectResetFreq ....    20
 Integral Threshold     Thresh          ....  1.000e-10 Eh
 Primitive CutOff       TCut            ....  1.000e-11 Eh

Convergence Tolerance:
 Convergence Check Mode ConvCheckMode   .... Total+1el-Energy
 Convergence forced     ConvForced      .... 0
 Energy Change          TolE            ....  1.000e-06 Eh
 1-El. energy change                    ....  1.000e-03 Eh
 DIIS Error             TolErr          ....  1.000e-06


Diagonalization of the overlap matrix:
Smallest eigenvalue                        ... 1.815e-01
Time for diagonalization                   ...    0.001 sec
Threshold for overlap eigenvalues          ... 1.000e-08
Number of eigenvalues below threshold      ... 0
Time for construction of square roots      ...    0.000 sec
Producing symmetrization matrix            ... done (   0.000 sec)
Total time needed                          ...    0.001 sec

--------------
OVERLAP MATRIX
--------------
                  0          1          2          3          4          5    
      0       1.000000   0.248362   0.000000   0.000000  -0.000000   0.000000
      1       0.248362   1.000000   0.000000  -0.000000  -0.000000   0.000303
      2       0.000000   0.000000   1.000000   0.000000   0.000000   0.000000
      3       0.000000  -0.000000   0.000000   1.000000  -0.000000  -0.000826
      4      -0.000000  -0.000000   0.000000  -0.000000   1.000000   0.000000
      5       0.000000   0.000303   0.000000  -0.000826   0.000000   1.000000
      6       0.000303   0.021870   0.000000  -0.035735   0.000000   0.248362
      7       0.000000   0.000000   0.008318   0.000000   0.000000   0.000000
      8       0.000826   0.035735   0.000000  -0.054392   0.000000  -0.000000
      9      -0.000000  -0.000000   0.000000   0.000000   0.008318   0.000000
     10       0.000001   0.035571   0.000000  -0.030464  -0.050542   0.000000
     11       0.035571   0.353710   0.000000  -0.196102  -0.325345   0.001586
     12       0.000000   0.000000   0.204650   0.000000   0.000000   0.000000
     13       0.030464   0.196102   0.000000   0.063005  -0.234997  -0.003224
     14       0.050542   0.325345   0.000000  -0.234997  -0.185224   0.001840
     15       0.000000   0.001586   0.000000  -0.003224   0.001840   0.000001
     16       0.001586   0.056188   0.000000  -0.072514   0.041392   0.035571
     17       0.000000   0.000000   0.023307   0.000000   0.000000   0.000000
     18       0.003224   0.072514   0.000000  -0.079712   0.058805  -0.030464
     19      -0.001840  -0.041392   0.000000   0.058805  -0.010260  -0.050542
     20       0.000000   0.001566   0.000000  -0.003188  -0.001820   0.000001
     21       0.001566   0.055779   0.000000  -0.072046  -0.041125   0.035577
     22       0.000000   0.000000   0.023119   0.000000   0.000000   0.000000
     23       0.003188   0.072046   0.000000  -0.079295  -0.058460  -0.030349
     24       0.001820   0.041125   0.000000  -0.058460  -0.010251   0.050623
     25       0.000001   0.035577   0.000000  -0.030349   0.050623   0.000000
     26       0.035577   0.353743   0.000000  -0.195337   0.325834   0.001566
     27       0.000000   0.000000   0.204675   0.000000   0.000000   0.000000
     28       0.030349   0.195337   0.000000   0.064143   0.234414  -0.003188
     29      -0.050623  -0.325834   0.000000   0.234414  -0.186341  -0.001820
     30       0.005093   0.093008   0.000000  -0.010484  -0.120229   0.000080
     31       0.000080   0.005902   0.000000  -0.007646   0.006201   0.005093
     32       0.000079   0.005884   0.000000  -0.007624  -0.006185   0.005080
     33       0.005080   0.092845   0.000000  -0.010425   0.120049   0.000079
     34       0.000000   0.000000   0.000000  -0.000000   0.000000   0.000000
     35       0.000000   0.000260   0.000000  -0.000575   0.000007   0.029550
     36       0.000000   0.000000   0.000083   0.000000   0.000000   0.000000
     37       0.000000   0.000575   0.000000  -0.001207   0.000015   0.049261
     38      -0.000000  -0.000007   0.000000   0.000015   0.000083  -0.001684
     39       0.000000   0.029550   0.000000   0.049261  -0.001684   0.000000
     40       0.029550   0.317606   0.000000   0.351783  -0.012026   0.000000
     41       0.000000   0.000000   0.177906   0.000000   0.000000   0.000000
     42      -0.049261  -0.351783   0.000000  -0.319315   0.016998  -0.000000
     43       0.001684   0.012026   0.000000   0.016998   0.177325   0.000000
     44       0.000000   0.000082   0.000000  -0.000171   0.000038   0.004869
     45       0.004869   0.090067   0.000000   0.102588  -0.056976   0.000000
     46       0.000000   0.000000   0.000000  -0.000000  -0.000000   0.000000
     47       0.000000   0.000007   0.000000  -0.000019  -0.000004   0.001159
     48       0.000000   0.000000   0.000002   0.000000   0.000000   0.000000
     49       0.000000   0.000019   0.000000  -0.000046  -0.000009   0.002575
     50       0.000000   0.000004   0.000000  -0.000009   0.000000   0.001103
     51       0.000000   0.001159   0.000000   0.002575   0.001103   0.000000
     52       0.001159   0.046884   0.000000   0.065343   0.027998   0.000000
     53       0.000000   0.000000   0.019082   0.000000   0.000000   0.000000
     54      -0.002575  -0.065343   0.000000  -0.080600  -0.042712  -0.000000
     55      -0.001103  -0.027998   0.000000  -0.042712   0.000781  -0.000000
     56       0.000000   0.000024   0.000000  -0.000051  -0.000021   0.000741
     57       0.000741   0.024680   0.000000   0.025702   0.026463   0.000000
     58       0.000000   0.000000   0.000000  -0.000001  -0.000000   0.000058
     59       0.000058   0.004808   0.000000   0.007886   0.001986   0.000000
                  6          7          8          9         10         11    
      0       0.000303   0.000000   0.000826  -0.000000   0.000001   0.035571
      1       0.021870   0.000000   0.035735  -0.000000   0.035571   0.353710
      2       0.000000   0.008318   0.000000   0.000000   0.000000   0.000000
      3      -0.035735   0.000000  -0.054392   0.000000  -0.030464  -0.196102
      4       0.000000   0.000000   0.000000   0.008318  -0.050542  -0.325345
      5       0.248362   0.000000  -0.000000   0.000000   0.000000   0.001586
      6       1.000000   0.000000   0.000000   0.000000   0.001586   0.056188
      7       0.000000   1.000000   0.000000   0.000000   0.000000   0.000000
      8       0.000000   0.000000   1.000000  -0.000000   0.003224   0.072514
      9       0.000000   0.000000  -0.000000   1.000000  -0.001840  -0.041392
     10       0.001586   0.000000   0.003224  -0.001840   1.000000   0.248362
     11       0.056188   0.000000   0.072514  -0.041392   0.248362   1.000000
     12       0.000000   0.023307   0.000000   0.000000   0.000000   0.000000
     13      -0.072514   0.000000  -0.079712   0.058805   0.000000  -0.000000
     14       0.041392   0.000000   0.058805  -0.010260   0.000000   0.000000
     15       0.035571   0.000000   0.030464   0.050542   0.000000   0.000389
     16       0.353710   0.000000   0.196102   0.325345   0.000389   0.025192
     17       0.000000   0.204650   0.000000   0.000000   0.000000   0.000000
     18      -0.196102   0.000000   0.063005  -0.234997   0.000518   0.020246
     19      -0.325345   0.000000  -0.234997  -0.185224  -0.000901  -0.035237
     20       0.035577   0.000000   0.030349  -0.050623   0.000001   0.037289
     21       0.353743   0.000000   0.195337  -0.325834   0.037289   0.363411
     22       0.000000   0.204675   0.000000   0.000000   0.000000   0.000000
     23      -0.195337   0.000000   0.064143   0.234414   0.061829   0.386998
     24       0.325834   0.000000   0.234414  -0.186341   0.000075   0.000467
     25       0.001566   0.000000   0.003188   0.001820   0.000000   0.001704
     26       0.055779   0.000000   0.072046   0.041125   0.001704   0.058556
     27       0.000000   0.023119   0.000000   0.000000   0.000000   0.000000
     28      -0.072046   0.000000  -0.079295  -0.058460  -0.000005  -0.000105
     29      -0.041125   0.000000  -0.058460  -0.010251  -0.003956  -0.086601
     30       0.005902   0.000000   0.007646  -0.006201   0.061021   0.485749
     31       0.093008   0.000000   0.010484   0.120229   0.000011   0.001755
     32       0.092845   0.000000   0.010425  -0.120049   0.005272   0.095346
     33       0.005884   0.000000   0.007624   0.006185   0.000084   0.006109
     34       0.029550   0.000000  -0.049261   0.001684   0.000000   0.000002
     35       0.317606   0.000000  -0.351783   0.012026   0.000002   0.001445
     36       0.000000   0.177906   0.000000   0.000000   0.000000   0.000000
     37       0.351783   0.000000  -0.319315   0.016998   0.000007   0.002724
     38      -0.012026   0.000000   0.016998   0.177325  -0.000003  -0.000952
     39       0.000000   0.000000   0.000000  -0.000000   0.000000   0.001261
     40       0.000260   0.000000   0.000575  -0.000007   0.001261   0.049214
     41       0.000000   0.000083   0.000000   0.000000   0.000000   0.000000
     42      -0.000575   0.000000  -0.001207   0.000015  -0.002678  -0.065778
     43       0.000007   0.000000   0.000015   0.000083  -0.001400  -0.034398
     44       0.090067   0.000000  -0.102588   0.056976   0.000000   0.000188
     45       0.000082   0.000000   0.000171  -0.000038   0.001315   0.036238
     46       0.001159   0.000000  -0.002575  -0.001103   0.000000   0.000000
     47       0.046884   0.000000  -0.065343  -0.027998   0.000000   0.000177
     48       0.000000   0.019082   0.000000   0.000000   0.000000   0.000000
     49       0.065343   0.000000  -0.080600  -0.042712   0.000000   0.000400
     50       0.027998   0.000000  -0.042712   0.000781  -0.000000  -0.000019
     51       0.000000   0.000000   0.000000   0.000000   0.000000   0.000003
     52       0.000007   0.000000   0.000019   0.000004   0.000003   0.001738
     53       0.000000   0.000002   0.000000   0.000000   0.000000   0.000000
     54      -0.000019   0.000000  -0.000046  -0.000009  -0.000009  -0.002780
     55      -0.000004   0.000000  -0.000009   0.000000  -0.000006  -0.002009
     56       0.024680   0.000000  -0.025702  -0.026463   0.000003   0.000779
     57       0.000024   0.000000   0.000051   0.000021   0.000002   0.000684
     58       0.004808   0.000000  -0.007886  -0.001986   0.000000   0.000008
     59       0.000000   0.000000   0.000001   0.000000   0.000000   0.000192
                 12         13         14         15         16         17    
      0       0.000000   0.030464   0.050542   0.000000   0.001586   0.000000
      1       0.000000   0.196102   0.325345   0.001586   0.056188   0.000000
      2       0.204650   0.000000   0.000000   0.000000   0.000000   0.023307
      3       0.000000   0.063005  -0.234997  -0.003224  -0.072514   0.000000
      4       0.000000  -0.234997  -0.185224   0.001840   0.041392   0.000000
      5       0.000000  -0.003224   0.001840   0.000001   0.035571   0.000000
      6       0.000000  -0.072514   0.041392   0.035571   0.353710   0.000000
      7       0.023307   0.000000   0.000000   0.000000   0.000000   0.204650
      8       0.000000  -0.079712   0.058805   0.030464   0.196102   0.000000
      9       0.000000   0.058805  -0.010260   0.050542   0.325345   0.000000
     10       0.000000   0.000000   0.000000   0.000000   0.000389   0.000000
     11       0.000000  -0.000000   0.000000   0.000389   0.025192   0.000000
     12       1.000000   0.000000   0.000000   0.000000   0.000000   0.009690
     13       0.000000   1.000000   0.000000  -0.000518  -0.020246   0.000000
     14       0.000000   0.000000   1.000000   0.000901   0.035237   0.000000
     15       0.000000  -0.000518   0.000901   1.000000   0.248362   0.000000
     16       0.000000  -0.020246   0.035237   0.248362   1.000000   0.000000
     17       0.009690   0.000000   0.000000   0.000000   0.000000   1.000000
     18       0.000000  -0.007838   0.030508  -0.000000   0.000000   0.000000
     19       0.000000   0.030508  -0.043408  -0.000000  -0.000000   0.000000
     20       0.000000  -0.061829  -0.000075   0.000000   0.001704   0.000000
     21       0.000000  -0.386998  -0.000467   0.001704   0.058556   0.000000
     22       0.212075   0.000000   0.000000   0.000000   0.000000   0.024399
     23       0.000000  -0.327830  -0.000651   0.000005   0.000105   0.000000
     24       0.000000  -0.000651   0.212074   0.003956   0.086601   0.000000
     25       0.000000   0.000005   0.003956   0.000001   0.037289   0.000000
     26       0.000000   0.000105   0.086601   0.037289   0.363411   0.000000
     27       0.024399   0.000000   0.000000   0.000000   0.000000   0.212075
     28       0.000000   0.024399  -0.000171  -0.061829  -0.386998   0.000000
     29       0.000000  -0.000171  -0.116791  -0.000075  -0.000467   0.000000
     30       0.000000   0.230161  -0.403198   0.000011   0.001755   0.000000
     31       0.000000  -0.001576   0.002748   0.061021   0.485749   0.000000
     32       0.000000  -0.110696  -0.054367   0.000084   0.006109   0.000000
     33       0.000000   0.001614   0.010037   0.005272   0.095346   0.000000
     34       0.000000  -0.000007   0.000003   0.000000   0.001261   0.000000
     35       0.000000  -0.002724   0.000952   0.001261   0.049214   0.000000
     36       0.000480   0.000000   0.000000   0.000000   0.000000   0.020131
     37       0.000000  -0.004795   0.001844   0.002678   0.065778   0.000000
     38       0.000000   0.001844  -0.000164   0.001400   0.034398   0.000000
     39       0.000000   0.002678   0.001400   0.000000   0.000002   0.000000
     40       0.000000   0.065778   0.034398   0.000002   0.001445   0.000000
     41       0.020131   0.000000   0.000000   0.000000   0.000000   0.000480
     42       0.000000  -0.076239  -0.050396  -0.000007  -0.002724   0.000000
     43       0.000000  -0.050396  -0.006224   0.000003   0.000952   0.000000
     44       0.000000  -0.000337   0.000190   0.001315   0.036238   0.000000
     45       0.000000   0.052183   0.002964   0.000000   0.000188   0.000000
     46       0.000000  -0.000000   0.000000   0.000000   0.000003   0.000000
     47       0.000000  -0.000400   0.000019   0.000003   0.001738   0.000000
     48       0.000057   0.000000   0.000000   0.000000   0.000000   0.000581
     49       0.000000  -0.000857   0.000045   0.000009   0.002780   0.000000
     50       0.000000   0.000045   0.000054   0.000006   0.002009   0.000000
     51       0.000000   0.000009   0.000006   0.000000   0.000000   0.000000
     52       0.000000   0.002780   0.002009   0.000000   0.000177   0.000000
     53       0.000581   0.000000   0.000000   0.000000   0.000000   0.000057
     54       0.000000  -0.003996  -0.003308  -0.000000  -0.000400   0.000000
     55       0.000000  -0.003308  -0.001811   0.000000   0.000019   0.000000
     56       0.000000  -0.001450  -0.000289   0.000002   0.000684   0.000000
     57       0.000000   0.000837   0.001005   0.000003   0.000779   0.000000
     58       0.000000  -0.000018   0.000001   0.000000   0.000192   0.000000
     59       0.000000   0.000352   0.000176   0.000000   0.000008   0.000000
                 18         19         20         21         22         23    
      0       0.003224  -0.001840   0.000000   0.001566   0.000000   0.003188
      1       0.072514  -0.041392   0.001566   0.055779   0.000000   0.072046
      2       0.000000   0.000000   0.000000   0.000000   0.023119   0.000000
      3      -0.079712   0.058805  -0.003188  -0.072046   0.000000  -0.079295
      4       0.058805  -0.010260  -0.001820  -0.041125   0.000000  -0.058460
      5      -0.030464  -0.050542   0.000001   0.035577   0.000000  -0.030349
      6      -0.196102  -0.325345   0.035577   0.353743   0.000000  -0.195337
      7       0.000000   0.000000   0.000000   0.000000   0.204675   0.000000
      8       0.063005  -0.234997   0.030349   0.195337   0.000000   0.064143
      9      -0.234997  -0.185224  -0.050623  -0.325834   0.000000   0.234414
     10       0.000518  -0.000901   0.000001   0.037289   0.000000   0.061829
     11       0.020246  -0.035237   0.037289   0.363411   0.000000   0.386998
     12       0.000000   0.000000   0.000000   0.000000   0.212075   0.000000
     13      -0.007838   0.030508  -0.061829  -0.386998   0.000000  -0.327830
     14       0.030508  -0.043408  -0.000075  -0.000467   0.000000  -0.000651
     15      -0.000000  -0.000000   0.000000   0.001704   0.000000   0.000005
     16       0.000000  -0.000000   0.001704   0.058556   0.000000   0.000105
     17       0.000000   0.000000   0.000000   0.000000   0.024399   0.000000
     18       1.000000   0.000000  -0.000005  -0.000105   0.000000   0.024399
     19       0.000000   1.000000  -0.003956  -0.086601   0.000000  -0.000171
     20      -0.000005  -0.003956   1.000000   0.248362   0.000000   0.000000
     21      -0.000105  -0.086601   0.248362   1.000000   0.000000   0.000000
     22       0.000000   0.000000   0.000000   0.000000   1.000000   0.000000
     23       0.024399  -0.000171   0.000000   0.000000   0.000000   1.000000
     24      -0.000171  -0.116791  -0.000000   0.000000   0.000000   0.000000
     25       0.061829   0.000075   0.000000   0.000380   0.000000   0.000507
     26       0.386998   0.000467   0.000380   0.024839   0.000000   0.020030
     27       0.000000   0.000000   0.000000   0.000000   0.009544   0.000000
     28      -0.327830  -0.000651  -0.000507  -0.020030   0.000000  -0.007852
     29      -0.000651   0.212074  -0.000880  -0.034764   0.000000  -0.030192
     30       0.001576  -0.002748   0.005261   0.095200   0.000000   0.110634
     31      -0.230161   0.403198   0.000084   0.006108   0.000000  -0.001603
     32      -0.001614  -0.010037   0.061264   0.486726   0.000000  -0.229855
     33       0.110696   0.054367   0.000011   0.001735   0.000000   0.001560
     34      -0.002678  -0.001400   0.000000   0.001051   0.000000  -0.002229
     35      -0.065778  -0.034398   0.001051   0.044325   0.000000  -0.058735
     36       0.000000   0.000000   0.000000   0.000000   0.017940   0.000000
     37      -0.076239  -0.050396   0.002229   0.058735   0.000000  -0.067109
     38      -0.050396  -0.006224  -0.001271  -0.033499   0.000000   0.048506
     39       0.000007  -0.000003   0.000000   0.000003   0.000000   0.000009
     40       0.002724  -0.000952   0.000003   0.001582   0.000000   0.002991
     41       0.000000   0.000000   0.000000   0.000000   0.000527   0.000000
     42      -0.004795   0.001844  -0.000009  -0.002991   0.000000  -0.005286
     43       0.001844  -0.000164  -0.000003  -0.000962   0.000000  -0.001869
     44      -0.052183  -0.002964   0.000064   0.005153   0.000000  -0.006571
     45       0.000337  -0.000190   0.000006   0.001141   0.000000   0.002114
     46      -0.000009  -0.000006   0.000000   0.000120   0.000000  -0.000350
     47      -0.002780  -0.002009   0.000120   0.013048   0.000000  -0.022220
     48       0.000000   0.000000   0.000000   0.000000   0.004783   0.000000
     49      -0.003996  -0.003308   0.000350   0.022220   0.000000  -0.035431
     50      -0.003308  -0.001811  -0.000025  -0.001590   0.000000   0.002877
     51       0.000000  -0.000000   0.000000   0.000000   0.000000   0.000000
     52       0.000400  -0.000019   0.000000   0.000025   0.000000   0.000056
     53       0.000000   0.000000   0.000000   0.000000   0.000008   0.000000
     54      -0.000857   0.000045  -0.000000  -0.000056   0.000000  -0.000118
     55       0.000045   0.000054  -0.000000  -0.000028   0.000000  -0.000063
     56      -0.000837  -0.001005   0.000764   0.025192   0.000000  -0.035987
     57       0.001450   0.000289   0.000000   0.000025   0.000000   0.000044
     58      -0.000352  -0.000176   0.000003   0.000835   0.000000  -0.001571
     59       0.000018  -0.000001   0.000000   0.000002   0.000000   0.000004
                 24         25         26         27         28         29    
      0       0.001820   0.000001   0.035577   0.000000   0.030349  -0.050623
      1       0.041125   0.035577   0.353743   0.000000   0.195337  -0.325834
      2       0.000000   0.000000   0.000000   0.204675   0.000000   0.000000
      3      -0.058460  -0.030349  -0.195337   0.000000   0.064143   0.234414
      4      -0.010251   0.050623   0.325834   0.000000   0.234414  -0.186341
      5       0.050623   0.000000   0.001566   0.000000  -0.003188  -0.001820
      6       0.325834   0.001566   0.055779   0.000000  -0.072046  -0.041125
      7       0.000000   0.000000   0.000000   0.023119   0.000000   0.000000
      8       0.234414   0.003188   0.072046   0.000000  -0.079295  -0.058460
      9      -0.186341   0.001820   0.041125   0.000000  -0.058460  -0.010251
     10       0.000075   0.000000   0.001704   0.000000  -0.000005  -0.003956
     11       0.000467   0.001704   0.058556   0.000000  -0.000105  -0.086601
     12       0.000000   0.000000   0.000000   0.024399   0.000000   0.000000
     13      -0.000651   0.000005   0.000105   0.000000   0.024399  -0.000171
     14       0.212074   0.003956   0.086601   0.000000  -0.000171  -0.116791
     15       0.003956   0.000001   0.037289   0.000000  -0.061829  -0.000075
     16       0.086601   0.037289   0.363411   0.000000  -0.386998  -0.000467
     17       0.000000   0.000000   0.000000   0.212075   0.000000   0.000000
     18      -0.000171   0.061829   0.386998   0.000000  -0.327830  -0.000651
     19      -0.116791   0.000075   0.000467   0.000000  -0.000651   0.212074
     20      -0.000000   0.000000   0.000380   0.000000  -0.000507  -0.000880
     21       0.000000   0.000380   0.024839   0.000000  -0.020030  -0.034764
     22       0.000000   0.000000   0.000000   0.009544   0.000000   0.000000
     23       0.000000   0.000507   0.020030   0.000000  -0.007852  -0.030192
     24       1.000000   0.000880   0.034764   0.000000  -0.030192  -0.042857
     25       0.000880   1.000000   0.248362   0.000000  -0.000000   0.000000
     26       0.034764   0.248362   1.000000   0.000000  -0.000000   0.000000
     27       0.000000   0.000000   0.000000   1.000000   0.000000   0.000000
     28      -0.030192  -0.000000  -0.000000   0.000000   1.000000   0.000000
     29      -0.042857   0.000000   0.000000   0.000000   0.000000   1.000000
     30      -0.054120   0.000084   0.006108   0.000000   0.001603  -0.010037
     31       0.010037   0.005261   0.095200   0.000000  -0.110634   0.054120
     32      -0.404052   0.000011   0.001735   0.000000  -0.001560  -0.002717
     33       0.002717   0.061264   0.486726   0.000000   0.229855   0.404052
     34       0.001271   0.000000   0.000003   0.000000  -0.000009  -0.000003
     35       0.033499   0.000003   0.001582   0.000000  -0.002991  -0.000962
     36       0.000000   0.000000   0.000000   0.000527   0.000000   0.000000
     37       0.048506   0.000009   0.002991   0.000000  -0.005286  -0.001869
     38      -0.009725   0.000003   0.000962   0.000000  -0.001869  -0.000074
     39       0.000003   0.000000   0.001051   0.000000   0.002229  -0.001271
     40       0.000962   0.001051   0.044325   0.000000   0.058735  -0.033499
     41       0.000000   0.000000   0.000000   0.017940   0.000000   0.000000
     42      -0.001869  -0.002229  -0.058735   0.000000  -0.067109   0.048506
     43      -0.000074   0.001271   0.033499   0.000000   0.048506  -0.009725
     44       0.005664   0.000006   0.001141   0.000000  -0.002114  -0.000079
     45       0.000079   0.000064   0.005153   0.000000   0.006571  -0.005664
     46       0.000025   0.000000   0.000000   0.000000  -0.000000  -0.000000
     47       0.001590   0.000000   0.000025   0.000000  -0.000056  -0.000028
     48       0.000000   0.000000   0.000000   0.000008   0.000000   0.000000
     49       0.002877   0.000000   0.000056   0.000000  -0.000118  -0.000063
     50       0.004577   0.000000   0.000028   0.000000  -0.000063  -0.000023
     51       0.000000   0.000000   0.000120   0.000000   0.000350  -0.000025
     52       0.000028   0.000120   0.013048   0.000000   0.022220  -0.001590
     53       0.000000   0.000000   0.000000   0.004783   0.000000   0.000000
     54      -0.000063  -0.000350  -0.022220   0.000000  -0.035431   0.002877
     55      -0.000023   0.000025   0.001590   0.000000   0.002877   0.004577
     56      -0.010853   0.000000   0.000025   0.000000  -0.000044  -0.000035
     57       0.000035   0.000764   0.025192   0.000000   0.035987   0.010853
     58       0.000135   0.000000   0.000002   0.000000  -0.000004  -0.000002
     59       0.000002   0.000003   0.000835   0.000000   0.001571  -0.000135
                 30         31         32         33         34         35    
      0       0.005093   0.000080   0.000079   0.005080   0.000000   0.000000
      1       0.093008   0.005902   0.005884   0.092845   0.000000   0.000260
      2       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      3      -0.010484  -0.007646  -0.007624  -0.010425  -0.000000  -0.000575
      4      -0.120229   0.006201  -0.006185   0.120049   0.000000   0.000007
      5       0.000080   0.005093   0.005080   0.000079   0.000000   0.029550
      6       0.005902   0.093008   0.092845   0.005884   0.029550   0.317606
      7       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      8       0.007646   0.010484   0.010425   0.007624  -0.049261  -0.351783
      9      -0.006201   0.120229  -0.120049   0.006185   0.001684   0.012026
     10       0.061021   0.000011   0.005272   0.000084   0.000000   0.000002
     11       0.485749   0.001755   0.095346   0.006109   0.000002   0.001445
     12       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     13       0.230161  -0.001576  -0.110696   0.001614  -0.000007  -0.002724
     14      -0.403198   0.002748  -0.054367   0.010037   0.000003   0.000952
     15       0.000011   0.061021   0.000084   0.005272   0.000000   0.001261
     16       0.001755   0.485749   0.006109   0.095346   0.001261   0.049214
     17       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     18       0.001576  -0.230161  -0.001614   0.110696  -0.002678  -0.065778
     19      -0.002748   0.403198  -0.010037   0.054367  -0.001400  -0.034398
     20       0.005261   0.000084   0.061264   0.000011   0.000000   0.001051
     21       0.095200   0.006108   0.486726   0.001735   0.001051   0.044325
     22       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     23       0.110634  -0.001603  -0.229855   0.001560  -0.002229  -0.058735
     24      -0.054120   0.010037  -0.404052   0.002717   0.001271   0.033499
     25       0.000084   0.005261   0.000011   0.061264   0.000000   0.000003
     26       0.006108   0.095200   0.001735   0.486726   0.000003   0.001582
     27       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     28       0.001603  -0.110634  -0.001560   0.229855  -0.000009  -0.002991
     29      -0.010037   0.054120  -0.002717   0.404052  -0.000003  -0.000962
     30       1.000000   0.000106   0.050494   0.000712   0.000000   0.000147
     31       0.000106   1.000000   0.000712   0.050494   0.001125   0.032620
     32       0.050494   0.000712   1.000000   0.000105   0.000868   0.027412
     33       0.000712   0.050494   0.000105   1.000000   0.000000   0.000170
     34       0.000000   0.001125   0.000868   0.000000   1.000000   0.248362
     35       0.000147   0.032620   0.027412   0.000170   0.248362   1.000000
     36       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     37       0.000270   0.029580   0.024517   0.000314   0.000000  -0.000000
     38      -0.000144   0.037202  -0.032351   0.000160  -0.000000   0.000000
     39       0.001125   0.000000   0.000000   0.000868   0.000000   0.000000
     40       0.032620   0.000147   0.000170   0.027412   0.000000   0.000001
     41       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     42      -0.029580  -0.000270  -0.000314  -0.024517   0.000000  -0.000002
     43      -0.037202   0.000144  -0.000160   0.032351   0.000000   0.000000
     44       0.000014   0.061526   0.002479   0.000240   0.060698   0.484450
     45       0.061526   0.000014   0.000240   0.002479   0.000000   0.000000
     46       0.000000   0.000006   0.000892   0.000000   0.000002   0.042836
     47       0.000035   0.001164   0.027916   0.000002   0.042836   0.393154
     48       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     49       0.000077   0.001342   0.037424   0.000004   0.044258   0.254088
     50      -0.000018   0.001686  -0.017396   0.000002   0.055564   0.319000
     51       0.000006   0.000000   0.000000   0.000892   0.000000   0.000000
     52       0.001164   0.000035   0.000002   0.027916   0.000000   0.000000
     53       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     54      -0.001342  -0.000077  -0.000004  -0.037424   0.000000  -0.000000
     55      -0.001686   0.000018  -0.000002   0.017396   0.000000  -0.000000
     56       0.000297   0.000238   0.089436   0.000001   0.005606   0.099656
     57       0.000238   0.000297   0.000001   0.089436   0.000000   0.000000
     58       0.000002   0.000251   0.002637   0.000000   0.005772   0.101772
     59       0.000251   0.000002   0.000000   0.002637   0.000000   0.000000
                 36         37         38         39         40         41    
      0       0.000000   0.000000  -0.000000   0.000000   0.029550   0.000000
      1       0.000000   0.000575  -0.000007   0.029550   0.317606   0.000000
      2       0.000083   0.000000   0.000000   0.000000   0.000000   0.177906
      3       0.000000  -0.001207   0.000015   0.049261   0.351783   0.000000
      4       0.000000   0.000015   0.000083  -0.001684  -0.012026   0.000000
      5       0.000000   0.049261  -0.001684   0.000000   0.000000   0.000000
      6       0.000000   0.351783  -0.012026   0.000000   0.000260   0.000000
      7       0.177906   0.000000   0.000000   0.000000   0.000000   0.000083
      8       0.000000  -0.319315   0.016998   0.000000   0.000575   0.000000
      9       0.000000   0.016998   0.177325  -0.000000  -0.000007   0.000000
     10       0.000000   0.000007  -0.000003   0.000000   0.001261   0.000000
     11       0.000000   0.002724  -0.000952   0.001261   0.049214   0.000000
     12       0.000480   0.000000   0.000000   0.000000   0.000000   0.020131
     13       0.000000  -0.004795   0.001844   0.002678   0.065778   0.000000
     14       0.000000   0.001844  -0.000164   0.001400   0.034398   0.000000
     15       0.000000   0.002678   0.001400   0.000000   0.000002   0.000000
     16       0.000000   0.065778   0.034398   0.000002   0.001445   0.000000
     17       0.020131   0.000000   0.000000   0.000000   0.000000   0.000480
     18       0.000000  -0.076239  -0.050396   0.000007   0.002724   0.000000
     19       0.000000  -0.050396  -0.006224  -0.000003  -0.000952   0.000000
     20       0.000000   0.002229  -0.001271   0.000000   0.000003   0.000000
     21       0.000000   0.058735  -0.033499   0.000003   0.001582   0.000000
     22       0.017940   0.000000   0.000000   0.000000   0.000000   0.000527
     23       0.000000  -0.067109   0.048506   0.000009   0.002991   0.000000
     24       0.000000   0.048506  -0.009725   0.000003   0.000962   0.000000
     25       0.000000   0.000009   0.000003   0.000000   0.001051   0.000000
     26       0.000000   0.002991   0.000962   0.001051   0.044325   0.000000
     27       0.000527   0.000000   0.000000   0.000000   0.000000   0.017940
     28       0.000000  -0.005286  -0.001869   0.002229   0.058735   0.000000
     29       0.000000  -0.001869  -0.000074  -0.001271  -0.033499   0.000000
     30       0.000000   0.000270  -0.000144   0.001125   0.032620   0.000000
     31       0.000000   0.029580   0.037202   0.000000   0.000147   0.000000
     32       0.000000   0.024517  -0.032351   0.000000   0.000170   0.000000
     33       0.000000   0.000314   0.000160   0.000868   0.027412   0.000000
     34       0.000000   0.000000  -0.000000   0.000000   0.000000   0.000000
     35       0.000000  -0.000000   0.000000   0.000000   0.000001   0.000000
     36       1.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     37       0.000000   1.000000   0.000000   0.000000   0.000002   0.000000
     38       0.000000   0.000000   1.000000   0.000000  -0.000000   0.000000
     39       0.000000   0.000000   0.000000   1.000000   0.248362   0.000000
     40       0.000000   0.000002  -0.000000   0.248362   1.000000   0.000000
     41       0.000000   0.000000   0.000000   0.000000   0.000000   1.000000
     42       0.000000  -0.000005   0.000000  -0.000000   0.000000   0.000000
     43       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     44       0.000000  -0.178646   0.427663   0.000000   0.000000   0.000000
     45       0.000000   0.000001  -0.000000   0.060698   0.484450   0.000000
     46       0.000000  -0.044258  -0.055564   0.000000   0.000000   0.000000
     47       0.000000  -0.254088  -0.319000   0.000000   0.000000   0.000000
     48       0.235487   0.000000   0.000000   0.000000   0.000000   0.000000
     49       0.000000   0.016653  -0.274738   0.000000   0.000000   0.000000
     50       0.000000  -0.274738  -0.109438   0.000000   0.000000   0.000000
     51       0.000000   0.000000   0.000000   0.000002   0.042836   0.000000
     52       0.000000   0.000000   0.000000   0.042836   0.393154   0.000000
     53       0.000000   0.000000   0.000000   0.000000   0.000000   0.235487
     54       0.000000  -0.000000  -0.000000  -0.044258  -0.254088   0.000000
     55       0.000000  -0.000000   0.000000  -0.055564  -0.319000   0.000000
     56       0.000000  -0.028779  -0.124892   0.000000   0.000000   0.000000
     57       0.000000   0.000000   0.000000   0.005606   0.099656   0.000000
     58       0.000000  -0.117935  -0.055934   0.000000   0.000000   0.000000
     59       0.000000   0.000000   0.000000   0.005772   0.101772   0.000000
                 42         43         44         45         46         47    
      0      -0.049261   0.001684   0.000000   0.004869   0.000000   0.000000
      1      -0.351783   0.012026   0.000082   0.090067   0.000000   0.000007
      2       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      3      -0.319315   0.016998  -0.000171   0.102588  -0.000000  -0.000019
      4       0.016998   0.177325   0.000038  -0.056976  -0.000000  -0.000004
      5      -0.000000   0.000000   0.004869   0.000000   0.000000   0.001159
      6      -0.000575   0.000007   0.090067   0.000082   0.001159   0.046884
      7       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      8      -0.001207   0.000015  -0.102588   0.000171  -0.002575  -0.065343
      9       0.000015   0.000083   0.056976  -0.000038  -0.001103  -0.027998
     10      -0.002678  -0.001400   0.000000   0.001315   0.000000   0.000000
     11      -0.065778  -0.034398   0.000188   0.036238   0.000000   0.000177
     12       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     13      -0.076239  -0.050396  -0.000337   0.052183  -0.000000  -0.000400
     14      -0.050396  -0.006224   0.000190   0.002964   0.000000   0.000019
     15      -0.000007   0.000003   0.001315   0.000000   0.000000   0.000003
     16      -0.002724   0.000952   0.036238   0.000188   0.000003   0.001738
     17       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     18      -0.004795   0.001844  -0.052183   0.000337  -0.000009  -0.002780
     19       0.001844  -0.000164  -0.002964  -0.000190  -0.000006  -0.002009
     20      -0.000009  -0.000003   0.000064   0.000006   0.000000   0.000120
     21      -0.002991  -0.000962   0.005153   0.001141   0.000120   0.013048
     22       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     23      -0.005286  -0.001869  -0.006571   0.002114  -0.000350  -0.022220
     24      -0.001869  -0.000074   0.005664   0.000079   0.000025   0.001590
     25      -0.002229   0.001271   0.000006   0.000064   0.000000   0.000000
     26      -0.058735   0.033499   0.001141   0.005153   0.000000   0.000025
     27       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     28      -0.067109   0.048506  -0.002114   0.006571  -0.000000  -0.000056
     29       0.048506  -0.009725  -0.000079  -0.005664  -0.000000  -0.000028
     30      -0.029580  -0.037202   0.000014   0.061526   0.000000   0.000035
     31      -0.000270   0.000144   0.061526   0.000014   0.000006   0.001164
     32      -0.000314  -0.000160   0.002479   0.000240   0.000892   0.027916
     33      -0.024517   0.032351   0.000240   0.002479   0.000000   0.000002
     34       0.000000   0.000000   0.060698   0.000000   0.000002   0.042836
     35      -0.000002   0.000000   0.484450   0.000000   0.042836   0.393154
     36       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     37      -0.000005   0.000000  -0.178646   0.000001  -0.044258  -0.254088
     38       0.000000   0.000000   0.427663  -0.000000  -0.055564  -0.319000
     39      -0.000000   0.000000   0.000000   0.060698   0.000000   0.000000
     40       0.000000   0.000000   0.000000   0.484450   0.000000   0.000000
     41       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     42       1.000000   0.000000  -0.000001   0.178646   0.000000  -0.000000
     43       0.000000   1.000000   0.000000  -0.427663   0.000000  -0.000000
     44      -0.000001   0.000000   1.000000   0.000000   0.006110   0.106040
     45       0.178646  -0.427663   0.000000   1.000000   0.000000   0.000000
     46       0.000000   0.000000   0.006110   0.000000   1.000000   0.248362
     47      -0.000000  -0.000000   0.106040   0.000000   0.248362   1.000000
     48       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     49      -0.000000  -0.000000   0.026507   0.000000  -0.000000   0.000000
     50      -0.000000   0.000000   0.132645  -0.000000  -0.000000   0.000000
     51       0.044258   0.055564   0.000000   0.006110   0.000000   0.000000
     52       0.254088   0.319000   0.000000   0.106040   0.000000   0.000000
     53       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     54       0.016653  -0.274738  -0.000000  -0.026507   0.000000   0.000000
     55      -0.274738  -0.109438   0.000000  -0.132645   0.000000   0.000000
     56      -0.000000  -0.000000   0.014616   0.000000   0.061413   0.487322
     57       0.028779   0.124892   0.000000   0.014616   0.000000   0.000000
     58      -0.000000  -0.000000   0.054933   0.000000   0.061313   0.486924
     59       0.117935   0.055934   0.000000   0.054933   0.000000   0.000000
                 48         49         50         51         52         53    
      0       0.000000   0.000000   0.000000   0.000000   0.001159   0.000000
      1       0.000000   0.000019   0.000004   0.001159   0.046884   0.000000
      2       0.000002   0.000000   0.000000   0.000000   0.000000   0.019082
      3       0.000000  -0.000046  -0.000009   0.002575   0.065343   0.000000
      4       0.000000  -0.000009   0.000000   0.001103   0.027998   0.000000
      5       0.000000   0.002575   0.001103   0.000000   0.000000   0.000000
      6       0.000000   0.065343   0.027998   0.000000   0.000007   0.000000
      7       0.019082   0.000000   0.000000   0.000000   0.000000   0.000002
      8       0.000000  -0.080600  -0.042712   0.000000   0.000019   0.000000
      9       0.000000  -0.042712   0.000781   0.000000   0.000004   0.000000
     10       0.000000   0.000000  -0.000000   0.000000   0.000003   0.000000
     11       0.000000   0.000400  -0.000019   0.000003   0.001738   0.000000
     12       0.000057   0.000000   0.000000   0.000000   0.000000   0.000581
     13       0.000000  -0.000857   0.000045   0.000009   0.002780   0.000000
     14       0.000000   0.000045   0.000054   0.000006   0.002009   0.000000
     15       0.000000   0.000009   0.000006   0.000000   0.000000   0.000000
     16       0.000000   0.002780   0.002009   0.000000   0.000177   0.000000
     17       0.000581   0.000000   0.000000   0.000000   0.000000   0.000057
     18       0.000000  -0.003996  -0.003308   0.000000   0.000400   0.000000
     19       0.000000  -0.003308  -0.001811  -0.000000  -0.000019   0.000000
     20       0.000000   0.000350  -0.000025   0.000000   0.000000   0.000000
     21       0.000000   0.022220  -0.001590   0.000000   0.000025   0.000000
     22       0.004783   0.000000   0.000000   0.000000   0.000000   0.000008
     23       0.000000  -0.035431   0.002877   0.000000   0.000056   0.000000
     24       0.000000   0.002877   0.004577   0.000000   0.000028   0.000000
     25       0.000000   0.000000   0.000000   0.000000   0.000120   0.000000
     26       0.000000   0.000056   0.000028   0.000120   0.013048   0.000000
     27       0.000008   0.000000   0.000000   0.000000   0.000000   0.004783
     28       0.000000  -0.000118  -0.000063   0.000350   0.022220   0.000000
     29       0.000000  -0.000063  -0.000023  -0.000025  -0.001590   0.000000
     30       0.000000   0.000077  -0.000018   0.000006   0.001164   0.000000
     31       0.000000   0.001342   0.001686   0.000000   0.000035   0.000000
     32       0.000000   0.037424  -0.017396   0.000000   0.000002   0.000000
     33       0.000000   0.000004   0.000002   0.000892   0.027916   0.000000
     34       0.000000   0.044258   0.055564   0.000000   0.000000   0.000000
     35       0.000000   0.254088   0.319000   0.000000   0.000000   0.000000
     36       0.235487   0.000000   0.000000   0.000000   0.000000   0.000000
     37       0.000000   0.016653  -0.274738   0.000000   0.000000   0.000000
     38       0.000000  -0.274738  -0.109438   0.000000   0.000000   0.000000
     39       0.000000   0.000000   0.000000   0.000002   0.042836   0.000000
     40       0.000000   0.000000   0.000000   0.042836   0.393154   0.000000
     41       0.000000   0.000000   0.000000   0.000000   0.000000   0.235487
     42       0.000000  -0.000000  -0.000000   0.044258   0.254088   0.000000
     43       0.000000  -0.000000   0.000000   0.055564   0.319000   0.000000
     44       0.000000   0.026507   0.132645   0.000000   0.000000   0.000000
     45       0.000000   0.000000  -0.000000   0.006110   0.106040   0.000000
     46       0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
     47       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     48       1.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     49       0.000000   1.000000   0.000000   0.000000   0.000000   0.000000
     50       0.000000   0.000000   1.000000   0.000000   0.000000   0.000000
     51       0.000000   0.000000   0.000000   1.000000   0.248362   0.000000
     52       0.000000   0.000000   0.000000   0.248362   1.000000   0.000000
     53       0.000000   0.000000   0.000000   0.000000   0.000000   1.000000
     54       0.000000   0.000000   0.000000   0.000000  -0.000000   0.000000
     55       0.000000   0.000000   0.000000   0.000000  -0.000000   0.000000
     56       0.000000   0.151282  -0.439931   0.000000   0.000000   0.000000
     57       0.000000   0.000000   0.000000   0.061413   0.487322   0.000000
     58       0.000000  -0.461265   0.058623   0.000000   0.000000   0.000000
     59       0.000000   0.000000   0.000000   0.061313   0.486924   0.000000
                 54         55         56         57         58         59    
      0      -0.002575  -0.001103   0.000000   0.000741   0.000000   0.000058
      1      -0.065343  -0.027998   0.000024   0.024680   0.000000   0.004808
      2       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      3      -0.080600  -0.042712  -0.000051   0.025702  -0.000001   0.007886
      4      -0.042712   0.000781  -0.000021   0.026463  -0.000000   0.001986
      5      -0.000000  -0.000000   0.000741   0.000000   0.000058   0.000000
      6      -0.000019  -0.000004   0.024680   0.000024   0.004808   0.000000
      7       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
      8      -0.000046  -0.000009  -0.025702   0.000051  -0.007886   0.000001
      9      -0.000009   0.000000  -0.026463   0.000021  -0.001986   0.000000
     10      -0.000009  -0.000006   0.000003   0.000002   0.000000   0.000000
     11      -0.002780  -0.002009   0.000779   0.000684   0.000008   0.000192
     12       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     13      -0.003996  -0.003308  -0.001450   0.000837  -0.000018   0.000352
     14      -0.003308  -0.001811  -0.000289   0.001005   0.000001   0.000176
     15      -0.000000   0.000000   0.000002   0.000003   0.000000   0.000000
     16      -0.000400   0.000019   0.000684   0.000779   0.000192   0.000008
     17       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     18      -0.000857   0.000045  -0.000837   0.001450  -0.000352   0.000018
     19       0.000045   0.000054  -0.001005   0.000289  -0.000176  -0.000001
     20      -0.000000  -0.000000   0.000764   0.000000   0.000003   0.000000
     21      -0.000056  -0.000028   0.025192   0.000025   0.000835   0.000002
     22       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     23      -0.000118  -0.000063  -0.035987   0.000044  -0.001571   0.000004
     24      -0.000063  -0.000023  -0.010853   0.000035   0.000135   0.000002
     25      -0.000350   0.000025   0.000000   0.000764   0.000000   0.000003
     26      -0.022220   0.001590   0.000025   0.025192   0.000002   0.000835
     27       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     28      -0.035431   0.002877  -0.000044   0.035987  -0.000004   0.001571
     29       0.002877   0.004577  -0.000035   0.010853  -0.000002  -0.000135
     30      -0.001342  -0.001686   0.000297   0.000238   0.000002   0.000251
     31      -0.000077   0.000018   0.000238   0.000297   0.000251   0.000002
     32      -0.000004  -0.000002   0.089436   0.000001   0.002637   0.000000
     33      -0.037424   0.017396   0.000001   0.089436   0.000000   0.002637
     34       0.000000   0.000000   0.005606   0.000000   0.005772   0.000000
     35      -0.000000  -0.000000   0.099656   0.000000   0.101772   0.000000
     36       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     37      -0.000000  -0.000000  -0.028779   0.000000  -0.117935   0.000000
     38      -0.000000   0.000000  -0.124892   0.000000  -0.055934   0.000000
     39      -0.044258  -0.055564   0.000000   0.005606   0.000000   0.005772
     40      -0.254088  -0.319000   0.000000   0.099656   0.000000   0.101772
     41       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     42       0.016653  -0.274738  -0.000000   0.028779  -0.000000   0.117935
     43      -0.274738  -0.109438  -0.000000   0.124892  -0.000000   0.055934
     44      -0.000000   0.000000   0.014616   0.000000   0.054933   0.000000
     45      -0.026507  -0.132645   0.000000   0.014616   0.000000   0.054933
     46       0.000000   0.000000   0.061413   0.000000   0.061313   0.000000
     47       0.000000   0.000000   0.487322   0.000000   0.486924   0.000000
     48       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     49       0.000000   0.000000   0.151282   0.000000  -0.461265   0.000000
     50       0.000000   0.000000  -0.439931   0.000000   0.058623   0.000000
     51       0.000000   0.000000   0.000000   0.061413   0.000000   0.061313
     52      -0.000000  -0.000000   0.000000   0.487322   0.000000   0.486924
     53       0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     54       1.000000   0.000000  -0.000000  -0.151282   0.000000   0.461265
     55       0.000000   1.000000  -0.000000   0.439931   0.000000  -0.058623
     56      -0.000000  -0.000000   1.000000   0.000000   0.148966   0.000000
     57      -0.151282   0.439931   0.000000   1.000000   0.000000   0.148966
     58       0.000000   0.000000   0.148966   0.000000   1.000000   0.000000
     59       0.461265  -0.058623   0.000000   0.148966   0.000000   1.000000
-------------------
DFT GRID GENERATION
-------------------

General Integration Accuracy     IntAcc      ...  4.340
Radial Grid Type                 RadialGrid  ... Gauss-Chebyshev
Angular Grid (max. acc.)         AngularGrid ... Lebedev-110
Angular grid pruning method      GridPruning ... 3 (G Style)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ...    1.0000e-10
Integration weight cutoff        WCut        ...    1.0000e-14
Grids for H and He will be reduced by one unit

# of grid points (after initial pruning)     ...  24500 (   0.0 sec)
# of grid points (after weights+screening)   ...  22568 (   0.1 sec)
nearest neighbour list constructed           ...    0.0 sec
Grid point re-assignment to atoms done       ...    0.0 sec
Grid point division into batches done        ...    0.0 sec
Reduced shell lists constructed in    0.2 sec

Total number of grid points                  ...    22568
Total number of batches                      ...      364
Average number of points per batch           ...       62
Average number of grid points per atom       ...     1128
Average number of shells per batch           ...    26.01 (65.02%)
Average number of basis functions per batch  ...    42.70 (71.16%)
Average number of large shells per batch     ...    19.33 (74.33%)
Average number of large basis fcns per batch ...    32.49 (76.09%)
Maximum spatial batch extension              ...  18.54, 20.37, 24.08 au
Average spatial batch extension              ...   3.22,  4.00,  5.21 au

Time for grid setup =    0.333 sec

------------------------------
INITIAL GUESS: MODEL POTENTIAL
------------------------------
Loading Hartree-Fock densities                     ... done
Calculating cut-offs                               ... done
Setting up the integral package                    ... done
Initializing the effective Hamiltonian             ... done
Starting the Coulomb interaction                   ... done (   0.1 sec)
Reading the grid                                   ... done
Mapping shells                                     ... done
Starting the XC term evaluation                    ... done (   0.2 sec)
  promolecular density results
     # of electrons  =     69.999709806
     EX              =    -54.264197362
     EC              =     -2.295190364
     EX+EC           =    -56.559387727
done (   0.0 sec)
Diagonalizing the Hamiltonian                      ... done (   0.0 sec)
Back transforming the eigenvectors                 ... done (   0.0 sec)
Now organizing SCF variables                       ... done
The symmetry of the initial guess is 2-Bg
Irrep occupations for operator 0
    Ag -   15
    Bg -    3
    Au -    2
    Bu -   15
Irrep occupations for operator 1
    Ag -   15
    Bg -    2
    Au -    2
    Bu -   15
                      ------------------
                      INITIAL GUESS DONE (   0.8 sec)
                      ------------------
--------------
SCF ITERATIONS
--------------
               ***  Starting incremental Fock matrix formation  ***

                         ----------------------------
                         !        ITERATION     0   !
                         ----------------------------
   Total Energy        :    -381.802867955628 Eh
   Energy Change       :    -381.802867955628 Eh
   MAX-DP              :       0.013395195318
   RMS-DP              :       0.001076806099
   Actual Damping      :       0.7000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    68.99642394 (UP=   34.99788397 DN=   33.99853997)
   Exchange            :   -43.49874459
   Correlation         :    -2.68323352


                         ----------------------------
                         !        ITERATION     1   !
                         ----------------------------
   Total Energy        :    -381.812319176282 Eh
   Energy Change       :      -0.009451220655 Eh
   MAX-DP              :       0.011042533632
   RMS-DP              :       0.000821245661
   Actual Damping      :       0.7000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    68.99663555 (UP=   34.99797936 DN=   33.99865619)
   Exchange            :   -43.48185427
   Correlation         :    -2.68125907

                               ***Turning on DIIS***

                         ----------------------------
                         !        ITERATION     2   !
                         ----------------------------
   Total Energy        :    -381.817078858219 Eh
   Energy Change       :      -0.004759681936 Eh
   MAX-DP              :       0.022087411634
   RMS-DP              :       0.001572418114
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    68.99680591 (UP=   34.99805292 DN=   33.99875298)
   Exchange            :   -43.46921528
   Correlation         :    -2.67967860
   DIIS-Error          :       0.014517102928


                         ----------------------------
                         !        ITERATION     3   !
                         ----------------------------
   Total Energy        :    -381.824537073417 Eh
   Energy Change       :      -0.007458215198 Eh
   MAX-DP              :       0.010525482733
   RMS-DP              :       0.000637399304
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    68.99713504 (UP=   34.99818527 DN=   33.99894978)
   Exchange            :   -43.44699309
   Correlation         :    -2.67641278
   DIIS-Error          :       0.010794760542
   DIIS coefficients:
      0.43959   0.56041


                         ----------------------------
                         !        ITERATION     4   !
                         ----------------------------
   Total Energy        :    -381.826161289225 Eh
   Energy Change       :      -0.001624215809 Eh
   MAX-DP              :       0.005121262349
   RMS-DP              :       0.000223786582
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    68.99702666 (UP=   34.99812924 DN=   33.99889742)
   Exchange            :   -43.45531847
   Correlation         :    -2.67712289
   DIIS-Error          :       0.002587989626
   DIIS coefficients:
      0.12690   0.06513   0.80798


                         ----------------------------
                         !        ITERATION     5   !
                         ----------------------------
   Total Energy        :    -381.826373011782 Eh
   Energy Change       :      -0.000211722556 Eh
   MAX-DP              :       0.009977180399
   RMS-DP              :       0.000310011669
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.0000 Eh
   Int. Num. El.       :    68.99700433 (UP=   34.99811310 DN=   33.99889123)
   Exchange            :   -43.45849248
   Correlation         :    -2.67731465
   DIIS-Error          :       0.000762580241
   DIIS coefficients:
      0.00832  -0.01753   0.01810   0.99111


                         ----------------------------
                         !        ITERATION     6   !
                         ----------------------------
   Total Energy        :    -381.826559429198 Eh
   Energy Change       :      -0.000186417416 Eh
   MAX-DP              :       0.003565499752
   RMS-DP              :       0.000127332395
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.0000 Eh
   Int. Num. El.       :    68.99699790 (UP=   34.99810059 DN=   33.99889730)
   Exchange            :   -43.45953156
   Correlation         :    -2.67719321
   DIIS-Error          :       0.000683403928
   DIIS coefficients:
     -0.00341  -0.00190  -0.08578   0.46706   0.62403


                         ----------------------------
                         !        ITERATION     7   !
                         ----------------------------
   Total Energy        :    -381.826611966624 Eh
   Energy Change       :      -0.000052537426 Eh
   MAX-DP              :       0.006202005779
   RMS-DP              :       0.000198632005
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.0000 Eh
   Int. Num. El.       :    68.99700018 (UP=   34.99809766 DN=   33.99890252)
   Exchange            :   -43.45977894
   Correlation         :    -2.67711524
   DIIS-Error          :       0.000283554135
   DIIS coefficients:
      1.15828   0.01428  -0.03964  -0.23919   0.10627


                         ----------------------------
                         !        ITERATION     8   !
                         ----------------------------
   Total Energy        :    -381.826660909601 Eh
   Energy Change       :      -0.000048942976 Eh
   MAX-DP              :       0.003616720757
   RMS-DP              :       0.000120184162
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.0000 Eh
   Int. Num. El.       :    68.99700153 (UP=   34.99809202 DN=   33.99890951)
   Exchange            :   -43.46033263
   Correlation         :    -2.67700336
   DIIS-Error          :       0.000173751600
   DIIS coefficients:
      0.35395   1.05879   0.00826  -0.12350  -0.29751


                         ----------------------------
                         !        ITERATION     9   !
                         ----------------------------
   Total Energy        :    -381.826672697306 Eh
   Energy Change       :      -0.000011787706 Eh
   MAX-DP              :       0.000607505135
   RMS-DP              :       0.000021437061
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.0000 Eh
   Int. Num. El.       :    68.99700276 (UP=   34.99808860 DN=   33.99891417)
   Exchange            :   -43.46065012
   Correlation         :    -2.67692942
   DIIS-Error          :       0.000088864586
   DIIS coefficients:
      0.09282   0.46978   0.62524  -0.03615  -0.15169

                 **** Energy Check signals convergence ****

               *****************************************************
               *                     SUCCESS                       *
               *           SCF CONVERGED AFTER  10 CYCLES          *
               *****************************************************

Setting up the final grid:

General Integration Accuracy     IntAcc      ...  4.670
Radial Grid Type                 RadialGrid  ... Gauss-Chebyshev
Angular Grid (max. acc.)         AngularGrid ... Lebedev-302
Angular grid pruning method      GridPruning ... 3 (G Style)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ...    1.0000e-10
Integration weight cutoff        WCut        ...    1.0000e-14
Grids for H and He will be reduced by one unit

# of grid points (after initial pruning)     ...  96060 (   0.0 sec)
# of grid points (after weights+screening)   ...  87162 (   0.5 sec)
nearest neighbour list constructed           ...    0.0 sec
Grid point re-assignment to atoms done       ...    0.0 sec
Grid point division into batches done        ...    0.3 sec
Reduced shell lists constructed in    1.0 sec

Total number of grid points                  ...    87162
Total number of batches                      ...     1374
Average number of points per batch           ...       63
Average number of grid points per atom       ...     4358
Average number of shells per batch           ...    23.78 (59.45%)
Average number of basis functions per batch  ...    39.23 (65.39%)
Average number of large shells per batch     ...    17.03 (71.60%)
Average number of large basis fcns per batch ...    28.84 (73.51%)
Maximum spatial batch extension              ...  19.80, 18.72, 23.20 au
Average spatial batch extension              ...   2.27,  2.53,  2.84 au

Final grid set up in    1.5 sec
Final integration                            ... done (   1.0 sec)
Change in XC energy                          ...    -0.000957169
Integrated number of electrons               ...    68.999946034
Previous integrated no of electrons          ...    68.997002825

----------------
TOTAL SCF ENERGY
----------------

Total Energy       :         -381.82763056 Eh          -10390.05805 eV

Components:
Nuclear Repulsion  :          445.93697787 Eh           12134.56208 eV
Electronic Energy  :         -827.76460843 Eh          -22524.62012 eV
One Electron Energy:        -1386.62712642 Eh          -37732.04237 eV
Two Electron Energy:          558.86251799 Eh           15207.42224 eV

Virial components:
Potential Energy   :         -756.71467186 Eh          -20591.25306 eV
Kinetic Energy     :          374.88704130 Eh           10201.19501 eV
Virial Ratio       :            2.01851381


DFT components:
N(Alpha)           :       34.999971838514 electrons
N(Beta)            :       33.999974194989 electrons
N(Total)           :       68.999946033503 electrons
E(X)               :      -43.461685561526 Eh       
E(C)               :       -2.676885498358 Eh       
E(XC)              :      -46.138571059884 Eh       

---------------
SCF CONVERGENCE
---------------

  Last Energy change         ...   -6.9589e-07  Tolerance :   1.0000e-06
  Last MAX-Density change    ...    6.6549e-04  Tolerance :   1.0000e-05
  Last RMS-Density change    ...    2.2466e-05  Tolerance :   1.0000e-06
  Last DIIS Error            ...    5.0543e-05  Tolerance :   1.0000e-06

             **** THE GBW FILE WAS UPDATED (dvb_sp_un.gbw) ****
             **** DENSITY FILE WAS UPDATED (dvb_sp_un.scfp.tmp) ****
             **** ENERGY FILE WAS UPDATED (dvb_sp_un.en.tmp) ****
----------------------
UHF SPIN CONTAMINATION
----------------------

Warning: in a DFT calculation there is little theoretical justification to 
         calculate <S**2> as in Hartree-Fock theory. We will do it anyways
         but you should keep in mind that the values have only limited relevance

Expectation value of <S**2>     :     0.777724
Ideal value S*(S+1) for S=0.5   :     0.750000
Deviation                       :     0.027724

----------------
ORBITAL ENERGIES
----------------
                 SPIN UP ORBITALS
  NO   OCC          E(Eh)            E(eV)    Irrep 
   0   1.0000     -10.249527      -278.9038    1-Bu
   1   1.0000     -10.249477      -278.9024    1-Ag
   2   1.0000     -10.215645      -277.9818    2-Bu
   3   1.0000     -10.215603      -277.9807    2-Ag
   4   1.0000     -10.214100      -277.9398    3-Bu
   5   1.0000     -10.214003      -277.9372    3-Ag
   6   1.0000     -10.213656      -277.9277    4-Bu
   7   1.0000     -10.213652      -277.9276    4-Ag
   8   1.0000     -10.211543      -277.8702    5-Bu
   9   1.0000     -10.211543      -277.8702    5-Ag
  10   1.0000      -1.017165       -27.6785    6-Ag
  11   1.0000      -0.958294       -26.0765    6-Bu
  12   1.0000      -0.917955       -24.9788    7-Ag
  13   1.0000      -0.895559       -24.3694    7-Bu
  14   1.0000      -0.873086       -23.7579    8-Bu
  15   1.0000      -0.783503       -21.3202    8-Ag
  16   1.0000      -0.756229       -20.5780    9-Ag
  17   1.0000      -0.718903       -19.5623    9-Bu
  18   1.0000      -0.699968       -19.0471   10-Ag
  19   1.0000      -0.646830       -17.6011   11-Ag
  20   1.0000      -0.631341       -17.1797   10-Bu
  21   1.0000      -0.600357       -16.3365   11-Bu
  22   1.0000      -0.592450       -16.1214   12-Bu
  23   1.0000      -0.584301       -15.8996   12-Ag
  24   1.0000      -0.565186       -15.3795   13-Bu
  25   1.0000      -0.548703       -14.9310   14-Bu
  26   1.0000      -0.533512       -14.5176   13-Ag
  27   1.0000      -0.529996       -14.4219    1-Au
  28   1.0000      -0.497432       -13.5358   15-Bu
  29   1.0000      -0.489660       -13.3243   14-Ag
  30   1.0000      -0.479063       -13.0360   15-Ag
  31   1.0000      -0.469994       -12.7892    1-Bg
  32   1.0000      -0.414189       -11.2707    2-Au
  33   1.0000      -0.390630       -10.6296    2-Bg
  34   1.0000      -0.366035        -9.9603    3-Bg
  35   0.0000      -0.173796        -4.7292    3-Au
  36   0.0000      -0.107749        -2.9320    4-Au
  37   0.0000      -0.090676        -2.4674    4-Bg
  38   0.0000      -0.025988        -0.7072    5-Au
  39   0.0000       0.063660         1.7323    5-Bg
  40   0.0000       0.143316         3.8998   16-Ag
  41   0.0000       0.152562         4.1514   16-Bu
  42   0.0000       0.182902         4.9770   17-Bu
  43   0.0000       0.199986         5.4419   17-Ag
  44   0.0000       0.218301         5.9403   18-Ag
  45   0.0000       0.223977         6.0947   18-Bu
  46   0.0000       0.243343         6.6217   19-Ag
  47   0.0000       0.244191         6.6448   19-Bu
  48   0.0000       0.266710         7.2575   20-Bu
  49   0.0000       0.288995         7.8639   20-Ag
  50   0.0000       0.323467         8.8020   21-Ag
  51   0.0000       0.347941         9.4679   21-Bu
  52   0.0000       0.383664        10.4400   22-Ag
  53   0.0000       0.401508        10.9256   22-Bu
  54   0.0000       0.429092        11.6762   23-Bu
  55   0.0000       0.441816        12.0224   23-Ag
  56   0.0000       0.481379        13.0990   24-Ag
  57   0.0000       0.509662        13.8686   24-Bu
  58   0.0000       0.571280        15.5453   25-Ag
  59   0.0000       0.585448        15.9308   25-Bu

                 SPIN DOWN ORBITALS
  NO   OCC          E(Eh)            E(eV)    Irrep 
   0   1.0000     -10.246500      -278.8214    1-Bu
   1   1.0000     -10.246454      -278.8202    1-Ag
   2   1.0000     -10.215308      -277.9727    2-Bu
   3   1.0000     -10.215271      -277.9716    2-Ag
   4   1.0000     -10.214481      -277.9502    3-Ag
   5   1.0000     -10.214481      -277.9502    3-Bu
   6   1.0000     -10.213909      -277.9346    4-Bu
   7   1.0000     -10.213808      -277.9318    4-Ag
   8   1.0000     -10.207047      -277.7479    5-Ag
   9   1.0000     -10.207047      -277.7479    5-Bu
  10   1.0000      -1.011062       -27.5124    6-Ag
  11   1.0000      -0.950781       -25.8721    6-Bu
  12   1.0000      -0.910030       -24.7632    7-Ag
  13   1.0000      -0.893922       -24.3248    7-Bu
  14   1.0000      -0.860820       -23.4241    8-Bu
  15   1.0000      -0.778177       -21.1753    8-Ag
  16   1.0000      -0.752150       -20.4670    9-Ag
  17   1.0000      -0.714973       -19.4554    9-Bu
  18   1.0000      -0.696812       -18.9612   10-Ag
  19   1.0000      -0.644605       -17.5406   11-Ag
  20   1.0000      -0.629246       -17.1226   10-Bu
  21   1.0000      -0.597624       -16.2622   11-Bu
  22   1.0000      -0.589587       -16.0435   12-Bu
  23   1.0000      -0.581376       -15.8200   12-Ag
  24   1.0000      -0.564482       -15.3603   13-Bu
  25   1.0000      -0.545726       -14.8500   14-Bu
  26   1.0000      -0.531542       -14.4640   13-Ag
  27   1.0000      -0.513624       -13.9764    1-Au
  28   1.0000      -0.495796       -13.4913   15-Bu
  29   1.0000      -0.488138       -13.2829   14-Ag
  30   1.0000      -0.477476       -12.9928   15-Ag
  31   1.0000      -0.447010       -12.1638    1-Bg
  32   1.0000      -0.387485       -10.5440    2-Bg
  33   1.0000      -0.384954       -10.4751    2-Au
  34   0.0000      -0.296686        -8.0732    3-Bg
  35   0.0000      -0.143245        -3.8979    3-Au
  36   0.0000      -0.099678        -2.7124    4-Au
  37   0.0000      -0.069886        -1.9017    4-Bg
  38   0.0000      -0.004449        -0.1211    5-Au
  39   0.0000       0.079959         2.1758    5-Bg
  40   0.0000       0.145804         3.9675   16-Ag
  41   0.0000       0.154455         4.2029   16-Bu
  42   0.0000       0.184844         5.0299   17-Bu
  43   0.0000       0.201462         5.4821   17-Ag
  44   0.0000       0.224001         6.0954   18-Ag
  45   0.0000       0.229398         6.2422   18-Bu
  46   0.0000       0.245636         6.6841   19-Bu
  47   0.0000       0.250041         6.8040   19-Ag
  48   0.0000       0.273755         7.4492   20-Bu
  49   0.0000       0.294159         8.0045   20-Ag
  50   0.0000       0.327248         8.9049   21-Ag
  51   0.0000       0.351420         9.5626   21-Bu
  52   0.0000       0.385165        10.4809   22-Ag
  53   0.0000       0.403695        10.9851   22-Bu
  54   0.0000       0.433461        11.7951   23-Bu
  55   0.0000       0.444410        12.0930   23-Ag
  56   0.0000       0.485199        13.2029   24-Ag
  57   0.0000       0.515135        14.0175   24-Bu
  58   0.0000       0.575061        15.6482   25-Ag
  59   0.0000       0.588623        16.0172   25-Bu
------------------
MOLECULAR ORBITALS
------------------
                      0         1         2         3         4         5   
                 -10.24953 -10.24948 -10.21565 -10.21560 -10.21410 -10.21400
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.700264  0.700288 -0.009891  0.006413 -0.005900 -0.009495
  0C   2s        -0.031277  0.031082  0.007518 -0.004193  0.004757  0.006606
  0C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  0C   1px        0.001018 -0.000740 -0.002871  0.001656 -0.001947 -0.003097
  0C   1py        0.000120 -0.000126  0.002845 -0.004591 -0.004378 -0.002722
  1C   1s         0.700264  0.700288  0.009891  0.006413  0.005900 -0.009495
  1C   2s         0.031277  0.031082 -0.007518 -0.004193 -0.004757  0.006606
  1C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  1C   1px        0.001018  0.000740 -0.002871 -0.001656 -0.001947  0.003097
  1C   1py        0.000120  0.000126  0.002845  0.004591 -0.004378  0.002722
  2C   1s         0.007052 -0.007475 -0.146846 -0.170432 -0.684704 -0.676975
  2C   2s         0.007130 -0.006536 -0.013126 -0.013778 -0.028919 -0.028227
  2C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  2C   1px        0.002093 -0.002341  0.004474  0.004432 -0.000268 -0.000571
  2C   1py        0.003930 -0.003791 -0.000334 -0.000275 -0.000975 -0.000652
  3C   1s        -0.007052 -0.007475  0.146846 -0.170432  0.684704 -0.676975
  3C   2s        -0.007130 -0.006536  0.013126 -0.013778  0.028919 -0.028227
  3C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  3C   1px        0.002093  0.002341  0.004474 -0.004432 -0.000268  0.000571
  3C   1py        0.003930  0.003791 -0.000334  0.000275 -0.000975  0.000652
  4C   1s        -0.007398 -0.007781  0.684630  0.679169 -0.147844 -0.170375
  4C   2s        -0.007100 -0.006490  0.031791  0.031504  0.000065 -0.001252
  4C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  4C   1px        0.002082  0.002337  0.001578  0.001576  0.004193  0.004161
  4C   1py       -0.003907 -0.003747  0.001017  0.000700 -0.000077 -0.000061
  5C   1s         0.007398 -0.007781 -0.684630  0.679169  0.147844 -0.170375
  5C   2s         0.007100 -0.006490 -0.031791  0.031504 -0.000065 -0.001252
  5C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000 -0.000000
  5C   1px        0.002082 -0.002337  0.001578 -0.001576  0.004193 -0.004161
  5C   1py       -0.003907  0.003747  0.001017 -0.000700 -0.000077  0.000061
  6H   1s        -0.000223  0.000111  0.001491  0.001583  0.006061  0.006119
  7H   1s         0.000223  0.000111 -0.001491  0.001583 -0.006061  0.006119
  8H   1s         0.000219  0.000109 -0.006177 -0.006195  0.001145  0.001500
  9H   1s        -0.000219  0.000109  0.006177 -0.006195 -0.001145  0.001500
 10C   1s        -0.008881 -0.008991 -0.001640 -0.004080 -0.014651  0.060446
 10C   2s        -0.005882 -0.005944  0.000163 -0.000106 -0.000501  0.002563
 10C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 10C   1px       -0.004075 -0.004118  0.000062 -0.000033  0.000043 -0.000024
 10C   1py        0.000214  0.000216 -0.000058 -0.000124  0.000013 -0.000114
 11C   1s         0.008881 -0.008991  0.001640 -0.004080  0.014651  0.060446
 11C   2s         0.005882 -0.005944 -0.000163 -0.000106  0.000501  0.002563
 11C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
 11C   1px       -0.004075  0.004118  0.000062  0.000033  0.000043  0.000024
 11C   1py        0.000214 -0.000216 -0.000058  0.000124  0.000013  0.000114
 12H   1s         0.000154  0.000162 -0.000027 -0.000013  0.000086 -0.000465
 13H   1s        -0.000154  0.000162  0.000027 -0.000013 -0.000086 -0.000465
 14C   1s         0.000037  0.000044 -0.002837 -0.002160  0.000523 -0.000819
 14C   2s         0.000274  0.000274 -0.000197 -0.000138  0.000132 -0.000595
 14C   1pz       -0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
 14C   1px        0.000201  0.000206 -0.000076 -0.000047  0.000037 -0.000166
 14C   1py       -0.000051 -0.000051  0.000040  0.000046  0.000053 -0.000305
 15C   1s        -0.000037  0.000044  0.002837 -0.002160 -0.000523 -0.000819
 15C   2s        -0.000274  0.000274  0.000197 -0.000138 -0.000132 -0.000595
 15C   1pz        0.000000 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 15C   1px        0.000201 -0.000206 -0.000076  0.000047  0.000037  0.000166
 15C   1py       -0.000051  0.000051  0.000040 -0.000046  0.000053  0.000305
 16H   1s        -0.000141 -0.000133  0.000194  0.000192 -0.000025  0.000003
 17H   1s         0.000141 -0.000133 -0.000194  0.000192  0.000025  0.000003
 18H   1s        -0.000024 -0.000023  0.000004  0.000003 -0.000005  0.000038
 19H   1s         0.000024 -0.000023 -0.000004  0.000003  0.000005  0.000038
                      6         7         8         9        10        11   
                 -10.21366 -10.21365 -10.21154 -10.21154  -1.01716  -0.95829
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.010038  0.010905 -0.000952  0.001005 -0.112378 -0.112336
  0C   2s         0.005187 -0.005667  0.000295 -0.000321  0.290656  0.302245
  0C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  0C   1px        0.004064 -0.003812  0.000287 -0.000276 -0.048461  0.025285
  0C   1py       -0.000050  0.000172 -0.000026  0.000036 -0.000166  0.003323
  1C   1s         0.010038  0.010905  0.000952  0.001005 -0.112378  0.112336
  1C   2s        -0.005187 -0.005667 -0.000295 -0.000321  0.290656 -0.302245
  1C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  1C   1px        0.004064  0.003812  0.000287  0.000276  0.048461  0.025285
  1C   1py       -0.000050 -0.000172 -0.000026 -0.000036  0.000166  0.003323
  2C   1s        -0.014510  0.057443 -0.001475  0.004187 -0.095609 -0.040794
  2C   2s        -0.000729  0.002384 -0.000079  0.000074  0.239118  0.105708
  2C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  2C   1px       -0.000027  0.000164  0.000091 -0.000001 -0.021900  0.055962
  2C   1py       -0.000007 -0.000038  0.000018 -0.000025  0.058428  0.043032
  3C   1s         0.014510  0.057443  0.001475  0.004187 -0.095609  0.040794
  3C   2s         0.000729  0.002384  0.000079  0.000074  0.239118 -0.105708
  3C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  3C   1px       -0.000027 -0.000164  0.000091  0.000001  0.021900  0.055962
  3C   1py       -0.000007  0.000038  0.000018  0.000025 -0.058428  0.043032
  4C   1s        -0.001862  0.018377  0.002742  0.003686 -0.096173  0.046749
  4C   2s         0.000227  0.000378  0.000097  0.000063  0.241211 -0.121952
  4C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  4C   1px        0.000038 -0.000461  0.000112  0.000060  0.021089  0.055986
  4C   1py       -0.000029 -0.000094  0.000011  0.000005  0.058567 -0.043118
  5C   1s         0.001862  0.018377 -0.002742  0.003686 -0.096173 -0.046749
  5C   2s        -0.000227  0.000378 -0.000097  0.000063  0.241211  0.121952
  5C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  5C   1px        0.000038  0.000461  0.000112 -0.000060 -0.021089  0.055986
  5C   1py       -0.000029  0.000094  0.000011 -0.000005 -0.058567 -0.043118
  6H   1s         0.000138 -0.000545  0.000024 -0.000052  0.037370  0.023517
  7H   1s        -0.000138 -0.000545 -0.000024 -0.000052  0.037370 -0.023517
  8H   1s        -0.000135 -0.000332  0.000071  0.000062  0.038599 -0.028580
  9H   1s         0.000135 -0.000332 -0.000071  0.000062  0.038599  0.028580
 10C   1s         0.697079  0.694585  0.067239  0.067361 -0.046541  0.108107
 10C   2s         0.031322  0.031208 -0.004399 -0.004395  0.118044 -0.278881
 10C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
 10C   1px       -0.001058 -0.001072  0.002786  0.002784  0.031002 -0.019501
 10C   1py       -0.001383 -0.001379  0.003555  0.003554 -0.009875  0.037372
 11C   1s        -0.697079  0.694585 -0.067239  0.067361 -0.046541 -0.108107
 11C   2s        -0.031322  0.031208  0.004399 -0.004395  0.118044  0.278881
 11C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 11C   1px       -0.001058  0.001072  0.002786 -0.002784 -0.031002 -0.019501
 11C   1py       -0.001383  0.001379  0.003555 -0.003554  0.009875  0.037372
 12H   1s        -0.006322 -0.006305 -0.000483 -0.000485  0.020347 -0.054195
 13H   1s         0.006322 -0.006305  0.000483 -0.000485  0.020347  0.054195
 14C   1s        -0.066371 -0.066674  0.697356  0.697329 -0.022768  0.076201
 14C   2s        -0.010202 -0.010195  0.030192  0.030189  0.058738 -0.200739
 14C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
 14C   1px       -0.002991 -0.002988  0.000674  0.000673  0.018179 -0.046612
 14C   1py       -0.003657 -0.003645  0.000854  0.000853  0.015251 -0.045503
 15C   1s         0.066371 -0.066674 -0.697356  0.697329 -0.022768 -0.076201
 15C   2s         0.010202 -0.010195 -0.030192  0.030189  0.058738  0.200739
 15C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
 15C   1px       -0.002991  0.002988  0.000674 -0.000673 -0.018179 -0.046612
 15C   1py       -0.003657  0.003645  0.000854 -0.000853 -0.015251 -0.045503
 16H   1s         0.000724  0.000729 -0.006311 -0.006310  0.011168 -0.039982
 17H   1s        -0.000724  0.000729  0.006311 -0.006310  0.011168  0.039982
 18H   1s         0.000740  0.000741 -0.006294 -0.006294  0.008006 -0.033867
 19H   1s        -0.000740  0.000741  0.006294 -0.006294  0.008006  0.033867
                     12        13        14        15        16        17   
                  -0.91796  -0.89556  -0.87309  -0.78350  -0.75623  -0.71890
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.005287 -0.017380  0.095368  0.075006 -0.052716  0.008830
  0C   2s        -0.017372  0.048204 -0.266773 -0.223971  0.159924 -0.024992
  0C   1pz        0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  0C   1px       -0.100656 -0.005600  0.070437 -0.100235  0.039552  0.169196
  0C   1py       -0.007224 -0.138034 -0.015527  0.117834  0.213526 -0.035635
  1C   1s         0.005287  0.017380 -0.095368  0.075006 -0.052716 -0.008830
  1C   2s        -0.017372 -0.048204  0.266773 -0.223971  0.159924  0.024992
  1C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
  1C   1px        0.100656 -0.005600  0.070437  0.100235 -0.039552  0.169196
  1C   1py        0.007224 -0.138034 -0.015527 -0.117834 -0.213526 -0.035635
  2C   1s        -0.043898 -0.134526  0.032389  0.000577  0.113060  0.050054
  2C   2s         0.114694  0.363793 -0.088405 -0.002857 -0.334229 -0.153601
  2C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  2C   1px       -0.037341 -0.052432 -0.079728 -0.163630 -0.045769  0.002617
  2C   1py        0.014243  0.003048 -0.054168 -0.057615  0.050597 -0.012756
  3C   1s        -0.043898  0.134526 -0.032389  0.000577  0.113060 -0.050054
  3C   2s         0.114694 -0.363793  0.088405 -0.002857 -0.334229  0.153601
  3C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  3C   1px        0.037341 -0.052432 -0.079728  0.163630  0.045769  0.002617
  3C   1py       -0.014243  0.003048 -0.054168  0.057615 -0.050597 -0.012756
  4C   1s        -0.038848 -0.118333 -0.074792 -0.086608 -0.057043 -0.029882
  4C   2s         0.101175  0.320594  0.204980  0.248949  0.169958  0.091476
  4C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  4C   1px        0.045309  0.072429 -0.047941  0.041000 -0.190852 -0.084597
  4C   1py        0.013553 -0.014187  0.050318 -0.051432  0.058616  0.030045
  5C   1s        -0.038848  0.118333  0.074792 -0.086608 -0.057043  0.029882
  5C   2s         0.101175 -0.320594 -0.204980  0.248949  0.169958 -0.091476
  5C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  5C   1px       -0.045309  0.072429 -0.047941 -0.041000  0.190852 -0.084597
  5C   1py       -0.013553 -0.014187  0.050318  0.051432 -0.058616  0.030045
  6H   1s         0.019091  0.086987 -0.020943 -0.015835 -0.144181 -0.042069
  7H   1s         0.019091 -0.086987  0.020943 -0.015835 -0.144181  0.042069
  8H   1s         0.012991  0.078865  0.046903  0.096596  0.077294  0.047573
  9H   1s         0.012991 -0.078865 -0.046903  0.096596  0.077294 -0.047573
 10C   1s         0.119495 -0.002224  0.061587  0.049157 -0.005298  0.100067
 10C   2s        -0.312385  0.004966 -0.162302 -0.148269  0.017590 -0.309271
 10C   1pz       -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 10C   1px        0.048095 -0.018950  0.114958 -0.122931  0.086839 -0.043297
 10C   1py        0.064853 -0.028091  0.065970 -0.096858 -0.028921 -0.117968
 11C   1s         0.119495  0.002224 -0.061587  0.049157 -0.005298 -0.100067
 11C   2s        -0.312385 -0.004966  0.162302 -0.148269  0.017590  0.309271
 11C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
 11C   1px       -0.048095 -0.018950  0.114958  0.122931 -0.086839 -0.043297
 11C   1py       -0.064853 -0.028091  0.065970  0.096858  0.028921 -0.117968
 12H   1s        -0.065642 -0.007099 -0.037972 -0.065719 -0.028011 -0.152702
 13H   1s        -0.065642  0.007099  0.037972 -0.065719 -0.028011  0.152702
 14C   1s         0.120142 -0.018427  0.113923 -0.081358  0.040266 -0.084936
 14C   2s        -0.322482  0.049393 -0.313713  0.239026 -0.122624  0.268218
 14C   1pz        0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 14C   1px       -0.054095  0.008685 -0.025743 -0.022273  0.043895 -0.068283
 14C   1py       -0.063190  0.002336 -0.047325 -0.029051 -0.009910 -0.130127
 15C   1s         0.120142  0.018427 -0.113923 -0.081358  0.040266  0.084936
 15C   2s        -0.322482 -0.049393  0.313713  0.239026 -0.122624 -0.268218
 15C   1pz        0.000000 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 15C   1px        0.054095  0.008685 -0.025743  0.022273 -0.043895 -0.068283
 15C   1py        0.063190  0.002336 -0.047325  0.029051  0.009910 -0.130127
 16H   1s        -0.066898  0.014920 -0.069091  0.086211 -0.022292  0.147272
 17H   1s        -0.066898 -0.014920  0.069091  0.086211 -0.022292 -0.147272
 18H   1s        -0.063622  0.009965 -0.074527  0.079784 -0.057516  0.114810
 19H   1s        -0.063622 -0.009965  0.074527  0.079784 -0.057516 -0.114810
                     18        19        20        21        22        23   
                  -0.69997  -0.64683  -0.63134  -0.60036  -0.59245  -0.58430
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.049504  0.030781 -0.015941  0.050206 -0.049415  0.017532
  0C   2s        -0.151111 -0.103854  0.056138 -0.175327  0.173180 -0.059827
  0C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  0C   1px        0.158433 -0.133422  0.117066 -0.100992 -0.176093 -0.003843
  0C   1py        0.035697  0.032144  0.195717  0.166691  0.117478  0.010242
  1C   1s         0.049504  0.030781  0.015941 -0.050206  0.049415  0.017532
  1C   2s        -0.151111 -0.103854 -0.056138  0.175327 -0.173180 -0.059827
  1C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
  1C   1px       -0.158433  0.133422  0.117066 -0.100992 -0.176093  0.003843
  1C   1py       -0.035697 -0.032144  0.195717  0.166691  0.117478 -0.010242
  2C   1s        -0.015978  0.016467  0.015745 -0.048606  0.026728 -0.024604
  2C   2s         0.054942 -0.062078 -0.053809  0.166838 -0.095955  0.083223
  2C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  2C   1px       -0.052902 -0.155341 -0.208608 -0.058186 -0.096997 -0.070281
  2C   1py       -0.201595  0.108562 -0.058289 -0.194869  0.100593 -0.004630
  3C   1s        -0.015978  0.016467 -0.015745  0.048606 -0.026728 -0.024604
  3C   2s         0.054942 -0.062078  0.053809 -0.166838  0.095955  0.083223
  3C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  3C   1px        0.052902  0.155341 -0.208608 -0.058186 -0.096997  0.070281
  3C   1py        0.201595 -0.108562 -0.058289 -0.194869  0.100593  0.004630
  4C   1s        -0.052880 -0.015295 -0.036752  0.048709 -0.018237  0.020589
  4C   2s         0.170699  0.042011  0.119948 -0.168466  0.068435 -0.076408
  4C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
  4C   1px        0.004476  0.115322  0.157042  0.179509 -0.011630  0.120986
  4C   1py       -0.205571  0.111674 -0.080390  0.015569 -0.289704  0.055557
  5C   1s        -0.052880 -0.015295  0.036752 -0.048709  0.018237  0.020589
  5C   2s         0.170699  0.042011 -0.119948  0.168466 -0.068435 -0.076408
  5C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
  5C   1px       -0.004476 -0.115322  0.157042  0.179509 -0.011630 -0.120986
  5C   1py        0.205571 -0.111674 -0.080390  0.015569 -0.289704 -0.055557
  6H   1s         0.102564 -0.122388 -0.061215  0.174359 -0.140132  0.008369
  7H   1s         0.102564 -0.122388  0.061215 -0.174359  0.140132  0.008369
  8H   1s         0.154810 -0.088600  0.037517 -0.137581  0.234167 -0.103021
  9H   1s         0.154810 -0.088600 -0.037517  0.137581 -0.234167 -0.103021
 10C   1s        -0.060032 -0.049151  0.012169  0.012406 -0.005356 -0.021897
 10C   2s         0.185420  0.158121 -0.035621 -0.033336  0.018882  0.061554
 10C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
 10C   1px        0.006835 -0.197184 -0.128408  0.205760  0.105596 -0.014878
 10C   1py        0.062732  0.076920  0.193563  0.037751  0.018787 -0.272239
 11C   1s        -0.060032 -0.049151 -0.012169 -0.012406  0.005356 -0.021897
 11C   2s         0.185420  0.158121  0.035621  0.033336 -0.018882  0.061554
 11C   1pz       -0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 11C   1px       -0.006835  0.197184 -0.128408  0.205760  0.105596  0.014878
 11C   1py       -0.062732 -0.076920  0.193563  0.037751  0.018787  0.272239
 12H   1s         0.099803  0.145556  0.136564 -0.054029  0.002795 -0.150942
 13H   1s         0.099803  0.145556 -0.136564  0.054029 -0.002795 -0.150942
 14C   1s         0.054891  0.024570 -0.014364 -0.014816  0.004969  0.002687
 14C   2s        -0.177169 -0.091170  0.053243  0.063654 -0.011720 -0.024351
 14C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 14C   1px        0.064961 -0.022804 -0.210067 -0.031371  0.112875  0.346190
 14C   1py        0.085770  0.227649  0.047239 -0.211472 -0.159338  0.055785
 15C   1s         0.054891  0.024570  0.014364  0.014816 -0.004969  0.002687
 15C   2s        -0.177169 -0.091170 -0.053243 -0.063654  0.011720 -0.024351
 15C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 15C   1px       -0.064961  0.022804 -0.210067 -0.031371  0.112875 -0.346190
 15C   1py       -0.085770 -0.227649  0.047239 -0.211472 -0.159338 -0.055785
 16H   1s        -0.087697 -0.178009 -0.050946  0.144227  0.143929  0.021837
 17H   1s        -0.087697 -0.178009  0.050946 -0.144227 -0.143929  0.021837
 18H   1s        -0.088082 -0.004198  0.151450  0.027514 -0.095570 -0.246143
 19H   1s        -0.088082 -0.004198 -0.151450 -0.027514  0.095570 -0.246143
                     24        25        26        27        28        29   
                  -0.56519  -0.54870  -0.53351  -0.53000  -0.49743  -0.48966
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.003703 -0.005397  0.023298  0.000000 -0.014058 -0.005150
  0C   2s         0.013254  0.020072 -0.085362  0.000000  0.058885  0.026952
  0C   1pz       -0.000000  0.000000  0.000000 -0.362225  0.000000 -0.000000
  0C   1px       -0.085882  0.139390  0.051598  0.000000  0.229609  0.214800
  0C   1py       -0.117760  0.159931 -0.087283 -0.000000 -0.046498  0.219445
  1C   1s         0.003703  0.005397  0.023298 -0.000000  0.014058 -0.005150
  1C   2s        -0.013254 -0.020072 -0.085362 -0.000000 -0.058885  0.026952
  1C   1pz       -0.000000 -0.000000 -0.000000 -0.362225 -0.000000  0.000000
  1C   1px       -0.085882  0.139390 -0.051598 -0.000000  0.229609 -0.214800
  1C   1py       -0.117760  0.159931  0.087283  0.000000 -0.046498 -0.219445
  2C   1s        -0.021262  0.012170  0.008743  0.000000  0.003781 -0.000397
  2C   2s         0.065602 -0.046011 -0.040343 -0.000000 -0.010485  0.003817
  2C   1pz        0.000000 -0.000000 -0.000000 -0.285243 -0.000000  0.000000
  2C   1px       -0.171595 -0.210728 -0.191186 -0.000000  0.055134 -0.213758
  2C   1py        0.311181 -0.077202  0.112322  0.000000 -0.046076 -0.209646
  3C   1s         0.021262 -0.012170  0.008743  0.000000 -0.003781 -0.000397
  3C   2s        -0.065602  0.046011 -0.040343 -0.000000  0.010485  0.003817
  3C   1pz       -0.000000 -0.000000 -0.000000 -0.285243 -0.000000  0.000000
  3C   1px       -0.171595 -0.210728  0.191186 -0.000000  0.055134  0.213758
  3C   1py        0.311181 -0.077202 -0.112322  0.000000 -0.046076  0.209646
  4C   1s        -0.016405 -0.009052 -0.009185 -0.000000 -0.010187 -0.003690
  4C   2s         0.051663  0.026257  0.030852  0.000000  0.035853  0.004179
  4C   1pz        0.000000  0.000000  0.000000 -0.287456 -0.000000  0.000000
  4C   1px        0.158449  0.212278  0.177939  0.000000 -0.030043  0.191663
  4C   1py        0.224466  0.008428 -0.039771  0.000000  0.123465  0.176199
  5C   1s         0.016405  0.009052 -0.009185  0.000000  0.010187 -0.003690
  5C   2s        -0.051663 -0.026257  0.030852 -0.000000 -0.035853  0.004179
  5C   1pz        0.000000 -0.000000 -0.000000 -0.287456 -0.000000 -0.000000
  5C   1px        0.158449  0.212278 -0.177939 -0.000000 -0.030043 -0.191663
  5C   1py        0.224466  0.008428  0.039771 -0.000000  0.123465 -0.176199
  6H   1s        -0.248522 -0.043108 -0.170199  0.000000  0.039450  0.074351
  7H   1s         0.248522  0.043108 -0.170199  0.000000 -0.039450  0.074351
  8H   1s        -0.190735 -0.072913 -0.004417  0.000000 -0.040477 -0.259662
  9H   1s         0.190735  0.072913 -0.004417  0.000000  0.040477 -0.259662
 10C   1s         0.003659 -0.000737 -0.023678  0.000000 -0.005288 -0.013953
 10C   2s        -0.008434 -0.013550  0.096906 -0.000000  0.025460  0.059515
 10C   1pz        0.000000  0.000000 -0.000000 -0.163634  0.000000  0.000000
 10C   1px        0.084449 -0.130589  0.085347  0.000000 -0.175408  0.214583
 10C   1py        0.031490 -0.240225  0.209458 -0.000000  0.210056 -0.005013
 11C   1s        -0.003659  0.000737 -0.023678  0.000000  0.005288 -0.013953
 11C   2s         0.008434  0.013550  0.096906 -0.000000 -0.025460  0.059515
 11C   1pz        0.000000  0.000000 -0.000000 -0.163634 -0.000000  0.000000
 11C   1px        0.084449 -0.130589 -0.085347  0.000000 -0.175408 -0.214583
 11C   1py        0.031490 -0.240225 -0.209458 -0.000000  0.210056  0.005013
 12H   1s         0.006067 -0.139316  0.172728  0.000000  0.260456 -0.053568
 13H   1s        -0.006067  0.139316  0.172728 -0.000000 -0.260456 -0.053568
 14C   1s        -0.003535 -0.012981  0.009707 -0.000000  0.006663  0.004707
 14C   2s         0.017981  0.030332 -0.024052 -0.000000 -0.024479 -0.009792
 14C   1pz        0.000000  0.000000  0.000000 -0.092567  0.000000 -0.000000
 14C   1px       -0.027112  0.265053  0.089484 -0.000000  0.184157 -0.147524
 14C   1py       -0.094433  0.135307 -0.283751  0.000000 -0.206806 -0.038908
 15C   1s         0.003535  0.012981  0.009707 -0.000000 -0.006663  0.004707
 15C   2s        -0.017981 -0.030332 -0.024052 -0.000000  0.024479 -0.009792
 15C   1pz       -0.000000  0.000000 -0.000000 -0.092567  0.000000 -0.000000
 15C   1px       -0.027112  0.265053 -0.089484 -0.000000  0.184157  0.147524
 15C   1py       -0.094433  0.135307  0.283751  0.000000 -0.206806  0.038908
 16H   1s         0.053761 -0.031251  0.237731  0.000000  0.235338 -0.051746
 17H   1s        -0.053761  0.031251  0.237731  0.000000 -0.235338 -0.051746
 18H   1s         0.018716 -0.178204 -0.114903 -0.000000 -0.204829  0.127810
 19H   1s        -0.018716  0.178204 -0.114903  0.000000  0.204829  0.127810
                     30        31        32        33        34        35   
                  -0.47906  -0.46999  -0.41419  -0.39063  -0.36603  -0.17380
                   1.00000   1.00000   1.00000   1.00000   1.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.011308 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
  0C   2s        -0.050892 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  0C   1pz        0.000000  0.384090 -0.028647 -0.005119 -0.377654 -0.454578
  0C   1px       -0.175779  0.000000  0.000000 -0.000000  0.000000 -0.000000
  0C   1py        0.231695  0.000000  0.000000 -0.000000  0.000000  0.000000
  1C   1s         0.011308  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  1C   2s        -0.050892  0.000000  0.000000  0.000000  0.000000  0.000000
  1C   1pz        0.000000 -0.384090 -0.028647  0.005119  0.377654 -0.454578
  1C   1px        0.175779  0.000000  0.000000  0.000000  0.000000  0.000000
  1C   1py       -0.231695 -0.000000  0.000000  0.000000 -0.000000  0.000000
  2C   1s         0.005732  0.000000  0.000000 -0.000000  0.000000  0.000000
  2C   2s        -0.013173  0.000000  0.000000  0.000000  0.000000 -0.000000
  2C   1pz       -0.000000  0.134169 -0.168967 -0.460508 -0.194492  0.256819
  2C   1px        0.119833  0.000000  0.000000 -0.000000  0.000000 -0.000000
  2C   1py       -0.185189 -0.000000 -0.000000 -0.000000 -0.000000  0.000000
  3C   1s         0.005732 -0.000000  0.000000 -0.000000 -0.000000  0.000000
  3C   2s        -0.013173 -0.000000  0.000000  0.000000 -0.000000  0.000000
  3C   1pz        0.000000 -0.134169 -0.168967  0.460508  0.194492  0.256819
  3C   1px       -0.119833 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  3C   1py        0.185189  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  4C   1s        -0.002213  0.000000  0.000000 -0.000000 -0.000000  0.000000
  4C   2s         0.004449 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  4C   1pz       -0.000000 -0.140348 -0.167958 -0.460736  0.200345  0.299323
  4C   1px       -0.149056 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  4C   1py        0.230592 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  5C   1s        -0.002213 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  5C   2s         0.004449  0.000000  0.000000 -0.000000  0.000000 -0.000000
  5C   1pz       -0.000000  0.140348 -0.167958  0.460736 -0.200345  0.299323
  5C   1px        0.149056 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  5C   1py       -0.230592 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  6H   1s         0.234670 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  7H   1s         0.234670  0.000000 -0.000000  0.000000  0.000000 -0.000000
  8H   1s        -0.110685 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  9H   1s        -0.110685  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 10C   1s         0.007630 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 10C   2s        -0.024880  0.000000 -0.000000  0.000000  0.000000  0.000000
 10C   1pz        0.000000 -0.342826  0.390042  0.005339 -0.228644 -0.247819
 10C   1px       -0.162723 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
 10C   1py        0.141102  0.000000  0.000000  0.000000  0.000000 -0.000000
 11C   1s         0.007630 -0.000000  0.000000  0.000000  0.000000 -0.000000
 11C   2s        -0.024880 -0.000000 -0.000000  0.000000 -0.000000  0.000000
 11C   1pz       -0.000000  0.342826  0.390042 -0.005339  0.228644 -0.247819
 11C   1px        0.162723  0.000000 -0.000000  0.000000 -0.000000 -0.000000
 11C   1py       -0.141102 -0.000000  0.000000  0.000000 -0.000000 -0.000000
 12H   1s         0.200687 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 13H   1s         0.200687 -0.000000  0.000000 -0.000000  0.000000  0.000000
 14C   1s         0.004786  0.000000  0.000000 -0.000000  0.000000  0.000000
 14C   2s        -0.019335  0.000000 -0.000000  0.000000  0.000000 -0.000000
 14C   1pz       -0.000000 -0.265053  0.447380 -0.004211 -0.429514  0.414124
 14C   1px        0.099537 -0.000000  0.000000  0.000000 -0.000000  0.000000
 14C   1py       -0.123294  0.000000  0.000000 -0.000000 -0.000000  0.000000
 15C   1s         0.004786 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 15C   2s        -0.019335  0.000000  0.000000  0.000000  0.000000 -0.000000
 15C   1pz        0.000000  0.265053  0.447380  0.004211  0.429514  0.414124
 15C   1px       -0.099537 -0.000000  0.000000  0.000000  0.000000  0.000000
 15C   1py        0.123294 -0.000000  0.000000  0.000000 -0.000000 -0.000000
 16H   1s         0.141092 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 17H   1s         0.141092 -0.000000 -0.000000 -0.000000  0.000000  0.000000
 18H   1s        -0.121234 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 19H   1s        -0.121234 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
                     36        37        38        39        40        41   
                  -0.10775  -0.09068  -0.02599   0.06366   0.14332   0.15256
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.000000  0.000000  0.000000  0.000000  0.082057 -0.049908
  0C   2s        -0.000000 -0.000000  0.000000 -0.000000 -0.487669  0.293544
  0C   1pz        0.029355  0.016603  0.467947 -0.526758 -0.000000 -0.000000
  0C   1px        0.000000  0.000000 -0.000000  0.000000 -0.304786  0.267083
  0C   1py       -0.000000 -0.000000  0.000000 -0.000000  0.044148 -0.259817
  1C   1s         0.000000 -0.000000 -0.000000 -0.000000  0.082057  0.049908
  1C   2s        -0.000000  0.000000  0.000000 -0.000000 -0.487669 -0.293544
  1C   1pz        0.029355 -0.016603  0.467947  0.526758 -0.000000  0.000000
  1C   1px       -0.000000  0.000000  0.000000  0.000000  0.304786  0.267083
  1C   1py        0.000000  0.000000 -0.000000  0.000000 -0.044148 -0.259817
  2C   1s         0.000000 -0.000000 -0.000000 -0.000000  0.019394  0.017124
  2C   2s        -0.000000  0.000000 -0.000000  0.000000 -0.119355 -0.098249
  2C   1pz       -0.583763 -0.245305 -0.159799  0.473142  0.000000 -0.000000
  2C   1px       -0.000000 -0.000000 -0.000000 -0.000000 -0.065895  0.097559
  2C   1py        0.000000  0.000000  0.000000  0.000000  0.288460 -0.328596
  3C   1s         0.000000  0.000000 -0.000000  0.000000  0.019394 -0.017124
  3C   2s        -0.000000 -0.000000  0.000000 -0.000000 -0.119355  0.098249
  3C   1pz       -0.583763  0.245305 -0.159799 -0.473142 -0.000000 -0.000000
  3C   1px        0.000000 -0.000000 -0.000000 -0.000000  0.065895  0.097559
  3C   1py        0.000000  0.000000 -0.000000  0.000000 -0.288460 -0.328596
  4C   1s        -0.000000 -0.000000 -0.000000  0.000000  0.038397 -0.021008
  4C   2s         0.000000 -0.000000  0.000000 -0.000000 -0.232365  0.123577
  4C   1pz        0.552283  0.235214 -0.191950 -0.473823 -0.000000 -0.000000
  4C   1px       -0.000000 -0.000000  0.000000 -0.000000  0.049692  0.112362
  4C   1py        0.000000 -0.000000 -0.000000 -0.000000  0.218382 -0.241468
  5C   1s         0.000000  0.000000  0.000000  0.000000  0.038397  0.021008
  5C   2s         0.000000  0.000000  0.000000  0.000000 -0.232365 -0.123577
  5C   1pz        0.552283 -0.235214 -0.191950  0.473823  0.000000 -0.000000
  5C   1px        0.000000  0.000000 -0.000000  0.000000 -0.049692  0.112362
  5C   1py        0.000000 -0.000000  0.000000 -0.000000 -0.218382 -0.241468
  6H   1s        -0.000000 -0.000000  0.000000  0.000000  0.378325 -0.295538
  7H   1s         0.000000  0.000000 -0.000000 -0.000000  0.378325  0.295538
  8H   1s         0.000000 -0.000000  0.000000  0.000000  0.390866 -0.223851
  9H   1s        -0.000000 -0.000000  0.000000  0.000000  0.390866  0.223851
 10C   1s         0.000000 -0.000000 -0.000000 -0.000000 -0.060471 -0.020110
 10C   2s        -0.000000  0.000000 -0.000000 -0.000000  0.347441  0.118646
 10C   1pz       -0.005147 -0.540527 -0.553826 -0.291908 -0.000000  0.000000
 10C   1px       -0.000000  0.000000 -0.000000  0.000000  0.406910  0.333604
 10C   1py       -0.000000 -0.000000 -0.000000 -0.000000 -0.182422 -0.277432
 11C   1s         0.000000  0.000000  0.000000  0.000000 -0.060471  0.020110
 11C   2s        -0.000000 -0.000000  0.000000 -0.000000  0.347441 -0.118646
 11C   1pz       -0.005147  0.540527 -0.553826  0.291908 -0.000000  0.000000
 11C   1px        0.000000 -0.000000 -0.000000  0.000000 -0.406910  0.333604
 11C   1py        0.000000  0.000000 -0.000000  0.000000  0.182422 -0.277432
 12H   1s        -0.000000 -0.000000  0.000000  0.000000  0.122674  0.354183
 13H   1s         0.000000  0.000000 -0.000000 -0.000000  0.122674 -0.354183
 14C   1s        -0.000000 -0.000000  0.000000 -0.000000  0.038374  0.009664
 14C   2s        -0.000000  0.000000 -0.000000 -0.000000 -0.222211 -0.058752
 14C   1pz       -0.007945  0.500695  0.386515  0.155644  0.000000 -0.000000
 14C   1px        0.000000 -0.000000 -0.000000  0.000000  0.142503  0.188177
 14C   1py        0.000000 -0.000000 -0.000000  0.000000 -0.133790 -0.287528
 15C   1s        -0.000000  0.000000 -0.000000 -0.000000  0.038374 -0.009664
 15C   2s        -0.000000 -0.000000 -0.000000 -0.000000 -0.222211  0.058752
 15C   1pz       -0.007945 -0.500695  0.386515 -0.155644 -0.000000  0.000000
 15C   1px       -0.000000 -0.000000  0.000000 -0.000000 -0.142503  0.188177
 15C   1py       -0.000000 -0.000000  0.000000 -0.000000  0.133790 -0.287528
 16H   1s         0.000000 -0.000000  0.000000  0.000000 -0.132331 -0.323422
 17H   1s         0.000000  0.000000  0.000000 -0.000000 -0.132331  0.323422
 18H   1s         0.000000  0.000000 -0.000000  0.000000  0.347262  0.304239
 19H   1s         0.000000  0.000000  0.000000  0.000000  0.347262 -0.304239
                     42        43        44        45        46        47   
                   0.18290   0.19999   0.21830   0.22398   0.24334   0.24419
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.058972  0.038282 -0.070925  0.083841 -0.117451  0.017068
  0C   2s         0.343749 -0.234613  0.433396 -0.504532  0.724546 -0.112943
  0C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  0C   1px        0.411707  0.087635  0.060552  0.130613 -0.163145  0.208948
  0C   1py        0.252493  0.125696  0.341971 -0.129717 -0.072987 -0.058455
  1C   1s         0.058972  0.038282 -0.070925 -0.083841 -0.117451 -0.017068
  1C   2s        -0.343749 -0.234613  0.433396  0.504532  0.724546  0.112943
  1C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
  1C   1px        0.411707 -0.087635 -0.060552  0.130613  0.163145  0.208948
  1C   1py        0.252493 -0.125696 -0.341971 -0.129717  0.072987 -0.058455
  2C   1s         0.025679 -0.075602 -0.066382 -0.080954  0.102264 -0.044173
  2C   2s        -0.153680  0.465978  0.406526  0.483430 -0.639238  0.275915
  2C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000 -0.000000
  2C   1px        0.225111  0.148475 -0.232704  0.097021 -0.221812  0.340652
  2C   1py        0.227990  0.048276 -0.030626 -0.096585 -0.081426 -0.205167
  3C   1s        -0.025679 -0.075602 -0.066382  0.080954  0.102264  0.044173
  3C   2s         0.153680  0.465978  0.406526 -0.483430 -0.639238 -0.275915
  3C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  3C   1px        0.225111 -0.148475  0.232704  0.097021  0.221812  0.340652
  3C   1py        0.227990 -0.048276  0.030626 -0.096585  0.081426 -0.205167
  4C   1s        -0.015531 -0.028818  0.125117  0.105782  0.037019 -0.009723
  4C   2s         0.089421  0.181594 -0.770317 -0.643072 -0.234443  0.070221
  4C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
  4C   1px        0.235964 -0.220095  0.022606  0.223720  0.288344  0.115864
  4C   1py        0.346838 -0.187701 -0.121984 -0.008368 -0.236032 -0.222290
  5C   1s         0.015531 -0.028818  0.125117 -0.105782  0.037019  0.009723
  5C   2s        -0.089421  0.181594 -0.770317  0.643072 -0.234443 -0.070221
  5C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  5C   1px        0.235964  0.220095 -0.022606  0.223720 -0.288344  0.115864
  5C   1py        0.346838  0.187701  0.121984 -0.008368  0.236032 -0.222290
  6H   1s         0.166747 -0.321198 -0.147791 -0.412099  0.340286 -0.510561
  7H   1s        -0.166747 -0.321198 -0.147791  0.412099  0.340286  0.510561
  8H   1s         0.399947 -0.332976  0.269375  0.409380  0.092672 -0.131322
  9H   1s        -0.399947 -0.332976  0.269375 -0.409380  0.092672  0.131322
 10C   1s        -0.099920  0.053655  0.035880  0.018108  0.079862 -0.066213
 10C   2s         0.587304 -0.322443 -0.218580 -0.115456 -0.483079  0.420214
 10C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
 10C   1px        0.318804  0.122734 -0.194725 -0.095819  0.016585  0.002026
 10C   1py        0.067945 -0.277984 -0.217483 -0.153252 -0.097980  0.262600
 11C   1s         0.099920  0.053655  0.035880 -0.018108  0.079862  0.066213
 11C   2s        -0.587304 -0.322443 -0.218580  0.115456 -0.483079 -0.420214
 11C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
 11C   1px        0.318804 -0.122734  0.194725 -0.095819 -0.016585  0.002026
 11C   1py        0.067945  0.277984  0.217483 -0.153252  0.097980  0.262600
 12H   1s        -0.267177  0.520527  0.259825  0.132640  0.346091 -0.458745
 13H   1s         0.267177  0.520527  0.259825 -0.132640  0.346091  0.458745
 14C   1s         0.035323 -0.022386  0.081679  0.076402 -0.074682 -0.043666
 14C   2s        -0.201910  0.129976 -0.518630 -0.482402  0.460796  0.282629
 14C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 14C   1px        0.064238  0.256874  0.015621  0.038334  0.068614 -0.340155
 14C   1py       -0.045773 -0.268661  0.165829  0.216531 -0.101702 -0.029700
 15C   1s        -0.035323 -0.022386  0.081679 -0.076402 -0.074682  0.043666
 15C   2s         0.201910  0.129976 -0.518630  0.482402  0.460796 -0.282629
 15C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
 15C   1px        0.064238 -0.256874 -0.015621  0.038334 -0.068614 -0.340155
 15C   1py       -0.045773  0.268661 -0.165829  0.216531  0.101702 -0.029700
 16H   1s         0.001982 -0.404130  0.386261  0.395962 -0.356207 -0.027284
 17H   1s        -0.001982 -0.404130  0.386261 -0.395962 -0.356207  0.027284
 18H   1s         0.218146  0.225894  0.257086  0.259361 -0.166909 -0.461255
 19H   1s        -0.218146  0.225894  0.257086 -0.259361 -0.166909  0.461255
                     48        49        50        51        52        53   
                   0.26671   0.28899   0.32347   0.34794   0.38366   0.40151
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.058429 -0.025644 -0.045672  0.000332 -0.001684  0.062923
  0C   2s         0.354502  0.163002  0.318080 -0.010133  0.006262 -0.438903
  0C   1pz        0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  0C   1px       -0.083695  0.016768 -0.627476  0.020497  0.042084 -0.069081
  0C   1py       -0.208324 -0.328155  0.037000 -0.553777 -0.149678  0.175493
  1C   1s         0.058429 -0.025644 -0.045672 -0.000332 -0.001684 -0.062923
  1C   2s        -0.354502  0.163002  0.318080  0.010133  0.006262  0.438903
  1C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
  1C   1px       -0.083695 -0.016768  0.627476  0.020497 -0.042084 -0.069081
  1C   1py       -0.208324  0.328155 -0.037000 -0.553777  0.149678  0.175493
  2C   1s         0.058740  0.090190 -0.001878  0.095312 -0.011855  0.048191
  2C   2s        -0.361860 -0.573982  0.008744 -0.640677  0.069840 -0.326731
  2C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  2C   1px       -0.122383  0.165160 -0.038065 -0.151691  0.245227  0.660121
  2C   1py       -0.194449 -0.123568 -0.451810  0.035606 -0.511310  0.344475
  3C   1s        -0.058740  0.090190 -0.001878 -0.095312 -0.011855 -0.048191
  3C   2s         0.361860 -0.573982  0.008744  0.640677  0.069840  0.326731
  3C   1pz       -0.000000 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
  3C   1px       -0.122383 -0.165160  0.038065 -0.151691 -0.245227  0.660121
  3C   1py       -0.194449  0.123568  0.451810  0.035606  0.511310  0.344475
  4C   1s        -0.053092 -0.089995  0.036374  0.044074  0.015091 -0.085401
  4C   2s         0.324225  0.574829 -0.237662 -0.305110 -0.090326  0.585499
  4C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  4C   1px       -0.065854  0.184082 -0.029073  0.489386  0.267216  0.488339
  4C   1py       -0.157486 -0.038327 -0.345123 -0.077673  0.558280 -0.305102
  5C   1s         0.053092 -0.089995  0.036374 -0.044074  0.015091  0.085401
  5C   2s        -0.324225  0.574829 -0.237662  0.305110 -0.090326 -0.585499
  5C   1pz       -0.000000 -0.000000  0.000000 -0.000000 -0.000000  0.000000
  5C   1px       -0.065854 -0.184082  0.029073  0.489386 -0.267216  0.488339
  5C   1py       -0.157486  0.038327  0.345123 -0.077673 -0.558280 -0.305102
  6H   1s         0.066956  0.107349 -0.302817  0.355739 -0.498651  0.124528
  7H   1s        -0.066956  0.107349 -0.302817 -0.355739 -0.498651 -0.124528
  8H   1s        -0.401004 -0.279219 -0.137963  0.270727  0.550033 -0.272811
  9H   1s         0.401004 -0.279219 -0.137963 -0.270727  0.550033  0.272811
 10C   1s        -0.076480  0.026026 -0.092582 -0.022666  0.046136  0.056194
 10C   2s         0.468778 -0.186858  0.600340  0.169894 -0.316935 -0.383459
 10C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
 10C   1px       -0.141323 -0.060039 -0.002115 -0.021791  0.139738  0.005033
 10C   1py        0.013969 -0.075278  0.125635 -0.231104  0.162147 -0.040993
 11C   1s         0.076480  0.026026 -0.092582  0.022666  0.046136 -0.056194
 11C   2s        -0.468778 -0.186858  0.600340 -0.169894 -0.316935  0.383459
 11C   1pz        0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 11C   1px       -0.141323  0.060039  0.002115 -0.021791 -0.139738  0.005033
 11C   1py        0.013969  0.075278 -0.125635 -0.231104 -0.162147 -0.040993
 12H   1s        -0.311215  0.095189 -0.343600  0.132282  0.074762  0.207561
 13H   1s         0.311215  0.095189 -0.343600 -0.132282  0.074762 -0.207561
 14C   1s         0.116505  0.081387  0.029193 -0.004211 -0.042602 -0.000601
 14C   2s        -0.738200 -0.524079 -0.184373  0.015132  0.294450  0.000717
 14C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 14C   1px       -0.073583  0.380391  0.112382 -0.448410  0.251886  0.090788
 14C   1py        0.157220  0.201740 -0.302592 -0.104584  0.105184  0.213385
 15C   1s        -0.116505  0.081387  0.029193  0.004211 -0.042602  0.000601
 15C   2s         0.738200 -0.524079 -0.184373 -0.015132  0.294450 -0.000717
 15C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
 15C   1px       -0.073583 -0.380391 -0.112382 -0.448410 -0.251886  0.090788
 15C   1py        0.157220 -0.201740  0.302592 -0.104584 -0.105184  0.213385
 16H   1s         0.576412  0.344475 -0.172869  0.013089 -0.165352  0.175241
 17H   1s        -0.576412  0.344475 -0.172869 -0.013089 -0.165352 -0.175241
 18H   1s         0.280902  0.569515  0.230843 -0.377713  0.070139  0.041639
 19H   1s        -0.280902  0.569515  0.230843  0.377713  0.070139 -0.041639
                     54        55        56        57        58        59   
                   0.42909   0.44182   0.48138   0.50966   0.57128   0.58545
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.077336  0.014700 -0.018920  0.019855 -0.005522  0.040122
  0C   2s        -0.529724 -0.090565  0.121644 -0.140858  0.036758 -0.303571
  0C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
  0C   1px        0.011965 -0.293864  0.360409  0.060056  0.065727  0.660703
  0C   1py       -0.193517  0.072982  0.173751  0.460413 -0.690076 -0.051921
  1C   1s        -0.077336  0.014700 -0.018920 -0.019855 -0.005522 -0.040122
  1C   2s         0.529724 -0.090565  0.121644  0.140858  0.036758  0.303571
  1C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  1C   1px        0.011965  0.293864 -0.360409  0.060056 -0.065727  0.660703
  1C   1py       -0.193517 -0.072982 -0.173751  0.460413  0.690076 -0.051921
  2C   1s         0.000320  0.025803  0.018710 -0.044858  0.004813 -0.047358
  2C   2s        -0.012138 -0.183021 -0.133849  0.325019 -0.034200  0.345873
  2C   1pz       -0.000000  0.000000  0.000000 -0.000000 -0.000000  0.000000
  2C   1px       -0.032077  0.458075  0.327345  0.092812 -0.496775 -0.334022
  2C   1py        0.246803 -0.159613  0.169017  0.213701 -0.325889  0.520484
  3C   1s        -0.000320  0.025803  0.018710  0.044858  0.004813  0.047358
  3C   2s         0.012138 -0.183021 -0.133849 -0.325019 -0.034200 -0.345873
  3C   1pz        0.000000 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
  3C   1px       -0.032077 -0.458075 -0.327345  0.092812  0.496775 -0.334022
  3C   1py        0.246803  0.159613 -0.169017  0.213701  0.325889  0.520484
  4C   1s         0.038303 -0.034272 -0.012472 -0.021123 -0.004312  0.052162
  4C   2s        -0.257764  0.236411  0.092022  0.157072  0.029727 -0.383067
  4C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000 -0.000000
  4C   1px        0.147498  0.370747  0.411202 -0.216979 -0.484355 -0.310261
  4C   1py       -0.298569 -0.082964  0.111160  0.001868  0.362631 -0.554443
  5C   1s        -0.038303 -0.034272 -0.012472  0.021123 -0.004312 -0.052162
  5C   2s         0.257764  0.236411  0.092022 -0.157072  0.029727  0.383067
  5C   1pz        0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  5C   1px        0.147498 -0.370747 -0.411202 -0.216979  0.484355 -0.310261
  5C   1py       -0.298569  0.082964 -0.111160  0.001868 -0.362631 -0.554443
  6H   1s         0.142881 -0.215818  0.054070 -0.016754 -0.012098  0.290632
  7H   1s        -0.142881 -0.215818  0.054070  0.016754 -0.012098 -0.290632
  8H   1s        -0.000465 -0.023524  0.214856 -0.113939  0.046086 -0.298478
  9H   1s         0.000465 -0.023524  0.214856  0.113939  0.046086  0.298478
 10C   1s        -0.035467 -0.034807 -0.040895 -0.058713 -0.025284 -0.011101
 10C   2s         0.259066  0.248848  0.320218  0.447726  0.203613  0.065535
 10C   1pz       -0.000000 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 10C   1px       -0.516178  0.199540 -0.651376 -0.347054 -0.238650  0.372493
 10C   1py        0.237499 -0.537311 -0.170275 -0.689109 -0.479318  0.038361
 11C   1s         0.035467 -0.034807 -0.040895  0.058713 -0.025284  0.011101
 11C   2s        -0.259066  0.248848  0.320218 -0.447726  0.203613 -0.065535
 11C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000  0.000000
 11C   1px       -0.516178 -0.199540  0.651376 -0.347054  0.238650  0.372493
 11C   1py        0.237499  0.537311  0.170275 -0.689109  0.479318  0.038361
 12H   1s        -0.401280  0.338852 -0.186040  0.195821  0.171349  0.057397
 13H   1s         0.401280  0.338852 -0.186040 -0.195821  0.171349 -0.057397
 14C   1s         0.021291  0.029646  0.044256  0.067930  0.039366 -0.009885
 14C   2s        -0.150014 -0.221760 -0.335241 -0.518309 -0.311262  0.084896
 14C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
 14C   1px        0.326701 -0.567158 -0.048504 -0.481729 -0.275659 -0.037892
 14C   1py       -0.512443  0.043011 -0.622320 -0.469675 -0.301308  0.235274
 15C   1s        -0.021291  0.029646  0.044256 -0.067930  0.039366  0.009885
 15C   2s         0.150014 -0.221760 -0.335241  0.518309 -0.311262 -0.084896
 15C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 15C   1px        0.326701  0.567158  0.048504 -0.481729  0.275659 -0.037892
 15C   1py       -0.512443 -0.043011  0.622320 -0.469675  0.301308  0.235274
 16H   1s        -0.390522  0.268670 -0.309158 -0.008069 -0.037040  0.154674
 17H   1s         0.390522  0.268670 -0.309158  0.008069 -0.037040 -0.154674
 18H   1s         0.368117 -0.353076  0.148819 -0.116110 -0.057090 -0.072357
 19H   1s        -0.368117 -0.353076  0.148819  0.116110 -0.057090  0.072357

                      0         1         2         3         4         5   
                 -10.24650 -10.24645 -10.21531 -10.21527 -10.21448 -10.21448
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.700305  0.700327 -0.010856 -0.006593 -0.010436  0.010700
  0C   2s        -0.030972  0.030782  0.007543  0.003978  0.004748 -0.005016
  0C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  0C   1px        0.001000 -0.000725 -0.002911 -0.001630  0.004198 -0.004142
  0C   1py        0.000119 -0.000124  0.002764  0.004640  0.000224 -0.000119
  1C   1s         0.700305  0.700327  0.010856 -0.006593 -0.010436 -0.010700
  1C   2s         0.030972  0.030782 -0.007543  0.003978  0.004748  0.005016
  1C   1pz       -0.000000 -0.000000 -0.000000  0.000000  0.000000  0.000000
  1C   1px        0.001000  0.000725 -0.002911  0.001630 -0.004198 -0.004142
  1C   1py        0.000119  0.000124  0.002764 -0.004640 -0.000224 -0.000119
  2C   1s         0.007781 -0.008164 -0.158705  0.184527  0.034358 -0.009962
  2C   2s         0.007102 -0.006493 -0.013596  0.014346  0.001505 -0.000287
  2C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
  2C   1px        0.002060 -0.002318  0.004462 -0.004408 -0.000116 -0.000007
  2C   1py        0.003880 -0.003745 -0.000347  0.000290  0.000133 -0.000034
  3C   1s        -0.007781 -0.008164  0.158705  0.184527  0.034358  0.009962
  3C   2s        -0.007102 -0.006493  0.013596  0.014346  0.001505  0.000287
  3C   1pz       -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  3C   1px        0.002060  0.002318  0.004462  0.004408  0.000116 -0.000007
  3C   1py        0.003880  0.003745 -0.000347 -0.000290 -0.000133 -0.000034
  4C   1s        -0.008152 -0.008485  0.681958 -0.675409 -0.000650 -0.006067
  4C   2s        -0.007074 -0.006448  0.031731 -0.031417 -0.000432 -0.000332
  4C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
  4C   1px        0.002049  0.002314  0.001653 -0.001665 -0.000116  0.000100
  4C   1py       -0.003857 -0.003702  0.001010 -0.000697  0.000100  0.000027
  5C   1s         0.008152 -0.008485 -0.681958 -0.675409 -0.000650  0.006067
  5C   2s         0.007074 -0.006448 -0.031731 -0.031417 -0.000432  0.000332
  5C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  5C   1px        0.002049 -0.002314  0.001653  0.001665  0.000116  0.000100
  5C   1py       -0.003857  0.003702  0.001010  0.000697 -0.000100  0.000027
  6H   1s        -0.000230  0.000118  0.001593 -0.001708 -0.000284  0.000077
  7H   1s         0.000230  0.000118 -0.001593 -0.001708 -0.000284 -0.000077
  8H   1s         0.000226  0.000116 -0.006144  0.006149  0.000169  0.000192
  9H   1s        -0.000226  0.000116  0.006144  0.006149  0.000169 -0.000192
 10C   1s        -0.009701 -0.009835 -0.003815  0.009835 -0.699327 -0.700068
 10C   2s        -0.005856 -0.005919  0.000047  0.000379 -0.030956 -0.031006
 10C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
 10C   1px       -0.004022 -0.004065  0.000068  0.000022  0.000871  0.000863
 10C   1py        0.000214  0.000215 -0.000046  0.000108  0.001139  0.001139
 11C   1s         0.009701 -0.009835  0.003815  0.009835 -0.699327  0.700068
 11C   2s         0.005856 -0.005919 -0.000047  0.000379 -0.030956  0.031006
 11C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 11C   1px       -0.004022  0.004065  0.000068 -0.000022 -0.000871  0.000863
 11C   1py        0.000214 -0.000215 -0.000046 -0.000108 -0.001139  0.001139
 12H   1s         0.000160  0.000168 -0.000008 -0.000041  0.006342  0.006352
 13H   1s        -0.000160  0.000168  0.000008 -0.000041  0.006342 -0.006352
 14C   1s         0.000096  0.000094 -0.001219  0.000817  0.018798  0.018881
 14C   2s         0.000286  0.000286 -0.000101  0.000015  0.008122  0.008135
 14C   1pz       -0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
 14C   1px        0.000202  0.000207 -0.000065  0.000018  0.002941  0.002947
 14C   1py       -0.000045 -0.000044  0.000053 -0.000078  0.003597  0.003600
 15C   1s        -0.000096  0.000094  0.001219  0.000817  0.018798 -0.018881
 15C   2s        -0.000286  0.000286  0.000101  0.000015  0.008122 -0.008135
 15C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
 15C   1px        0.000202 -0.000207 -0.000065 -0.000018 -0.002941  0.002947
 15C   1py       -0.000045  0.000044  0.000053  0.000078 -0.003597  0.003600
 16H   1s        -0.000140 -0.000133  0.000178 -0.000178 -0.000293 -0.000293
 17H   1s         0.000140 -0.000133 -0.000178 -0.000178 -0.000293  0.000293
 18H   1s        -0.000025 -0.000024 -0.000012  0.000011 -0.000308 -0.000308
 19H   1s         0.000025 -0.000024  0.000012  0.000011 -0.000308  0.000308
                      6         7         8         9        10        11   
                 -10.21391 -10.21381 -10.20705 -10.20705  -1.01106  -0.95078
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.006643  0.011883  0.000232 -0.000213  0.109735 -0.110757
  0C   2s         0.004790 -0.007350  0.000067 -0.000073 -0.279844  0.294368
  0C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  0C   1px       -0.001745  0.002592 -0.000014  0.000015  0.047669  0.029150
  0C   1py       -0.004421  0.002621  0.000031 -0.000028  0.000280  0.002964
  1C   1s         0.006643  0.011883  0.000232  0.000213  0.109735  0.110757
  1C   2s        -0.004790 -0.007350  0.000067  0.000073 -0.279844 -0.294368
  1C   1pz        0.000000 -0.000000  0.000000  0.000000 -0.000000 -0.000000
  1C   1px       -0.001745 -0.002592  0.000014  0.000015 -0.047669  0.029150
  1C   1py       -0.004421 -0.002621 -0.000031 -0.000028 -0.000280  0.002964
  2C   1s        -0.682135  0.674852  0.001216 -0.000478  0.097064 -0.040827
  2C   2s        -0.028663  0.027963 -0.000037 -0.000014 -0.244448  0.106839
  2C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000  0.000000
  2C   1px       -0.000340  0.000673 -0.000019  0.000081  0.024149  0.056710
  2C   1py       -0.000966  0.000630 -0.000021  0.000019 -0.058294  0.042718
  3C   1s         0.682135  0.674852  0.001216  0.000478  0.097064  0.040827
  3C   2s         0.028663  0.027963 -0.000037  0.000014 -0.244448 -0.106839
  3C   1pz       -0.000000 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
  3C   1px       -0.000340 -0.000673  0.000019  0.000081 -0.024149  0.056710
  3C   1py       -0.000966 -0.000630  0.000021  0.000019  0.058294  0.042718
  4C   1s        -0.159639  0.185665  0.001472  0.001266  0.097406  0.046414
  4C   2s        -0.000481  0.001949 -0.000011  0.000013 -0.245709 -0.122099
  4C   1pz       -0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
  4C   1px        0.004158 -0.004141  0.000083  0.000106 -0.023428  0.056637
  4C   1py       -0.000098  0.000059  0.000010  0.000011 -0.058325 -0.042657
  5C   1s         0.159639  0.185665  0.001472 -0.001266  0.097406 -0.046414
  5C   2s         0.000481  0.001949 -0.000011 -0.000013 -0.245709  0.122099
  5C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  5C   1px        0.004158  0.004141 -0.000083  0.000106  0.023428  0.056637
  5C   1py       -0.000098 -0.000059 -0.000010  0.000011  0.058325 -0.042657
  6H   1s         0.006028 -0.006095 -0.000023  0.000014 -0.038762  0.024413
  7H   1s        -0.006028 -0.006095 -0.000023 -0.000014 -0.038762 -0.024413
  8H   1s         0.001245 -0.001658  0.000090  0.000092 -0.039962 -0.029391
  9H   1s        -0.001245 -0.001658  0.000090 -0.000092 -0.039962  0.029391
 10C   1s         0.010993  0.032795  0.019755  0.019757  0.046948  0.111271
 10C   2s         0.000630  0.001564 -0.006397 -0.006397 -0.121379 -0.292026
 10C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
 10C   1px        0.000006 -0.000100  0.002794  0.002795 -0.032048 -0.022546
 10C   1py       -0.000029 -0.000044  0.003568  0.003569  0.009439  0.036070
 11C   1s        -0.010993  0.032795  0.019755 -0.019757  0.046948 -0.111271
 11C   2s        -0.000630  0.001564 -0.006397  0.006397 -0.121379  0.292026
 11C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 11C   1px        0.000006  0.000100 -0.002794  0.002795  0.032048 -0.022546
 11C   1py       -0.000029  0.000044 -0.003568  0.003569 -0.009439  0.036070
 12H   1s        -0.000145 -0.000381 -0.000054 -0.000054 -0.020873 -0.057147
 13H   1s         0.000145 -0.000381 -0.000054  0.000054 -0.020873  0.057147
 14C   1s        -0.000472 -0.002423  0.700359  0.700360  0.021585  0.072773
 14C   2s        -0.000177 -0.000520  0.030337  0.030337 -0.054283 -0.187041
 14C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
 14C   1px       -0.000070 -0.000228  0.000857  0.000857 -0.017981 -0.046989
 14C   1py       -0.000079 -0.000174  0.001075  0.001076 -0.015016 -0.045800
 15C   1s         0.000472 -0.002423  0.700359 -0.700360  0.021585 -0.072773
 15C   2s         0.000177 -0.000520  0.030337 -0.030337 -0.054283  0.187041
 15C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000 -0.000000
 15C   1px       -0.000070  0.000228 -0.000857  0.000857  0.017981 -0.046989
 15C   1py       -0.000079  0.000174 -0.001075  0.001076  0.015016 -0.045800
 16H   1s        -0.000014  0.000046 -0.006238 -0.006238 -0.011216 -0.040187
 17H   1s         0.000014  0.000046 -0.006238  0.006238 -0.011216  0.040187
 18H   1s         0.000009  0.000009 -0.006222 -0.006222 -0.007929 -0.033814
 19H   1s        -0.000009  0.000009 -0.006222  0.006222 -0.007929  0.033814
                     12        13        14        15        16        17   
                  -0.91003  -0.89392  -0.86082  -0.77818  -0.75215  -0.71497
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.009123 -0.012017  0.094832  0.071323  0.057840  0.008409
  0C   2s        -0.027820  0.032793 -0.262611 -0.210143 -0.173130 -0.023291
  0C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  0C   1px       -0.105639 -0.002415  0.073338 -0.090872 -0.041281  0.164100
  0C   1py       -0.006692 -0.135847 -0.007777  0.129775 -0.201963 -0.038232
  1C   1s         0.009123  0.012017 -0.094832  0.071323  0.057840 -0.008409
  1C   2s        -0.027820 -0.032793  0.262611 -0.210143 -0.173130  0.023291
  1C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000  0.000000
  1C   1px        0.105639 -0.002415  0.073338  0.090872  0.041281  0.164100
  1C   1py        0.006692 -0.135847 -0.007777 -0.129775  0.201963 -0.038232
  2C   1s        -0.044982 -0.132848  0.040862  0.009937 -0.111259  0.050206
  2C   2s         0.118065  0.359634 -0.113010 -0.030237  0.329102 -0.154450
  2C   1pz       -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  2C   1px       -0.041721 -0.057944 -0.079940 -0.165610  0.035528  0.004843
  2C   1py        0.012927 -0.000619 -0.055055 -0.057502 -0.059490 -0.010536
  3C   1s        -0.044982  0.132848 -0.040862  0.009937 -0.111259 -0.050206
  3C   2s         0.118065 -0.359634  0.113010 -0.030237  0.329102  0.154450
  3C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  3C   1px        0.041721 -0.057944 -0.079940  0.165610 -0.035528  0.004843
  3C   1py       -0.012927 -0.000619 -0.055055  0.057502  0.059490 -0.010536
  4C   1s        -0.040107 -0.121887 -0.070045 -0.087817  0.052514 -0.029830
  4C   2s         0.104809  0.330040  0.193744  0.252663 -0.157057  0.091530
  4C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  4C   1px        0.049362  0.071571 -0.053695  0.027461  0.192938 -0.088251
  4C   1py        0.012303 -0.012376  0.051344 -0.051917 -0.064604  0.028780
  5C   1s        -0.040107  0.121887  0.070045 -0.087817  0.052514  0.029830
  5C   2s         0.104809 -0.330040 -0.193744  0.252663 -0.157057 -0.091530
  5C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  5C   1px       -0.049362  0.071571 -0.053695 -0.027461 -0.192938 -0.088251
  5C   1py       -0.012303 -0.012376  0.051344  0.051917  0.064604  0.028780
  6H   1s         0.019833  0.086601 -0.028058 -0.025627  0.145305 -0.043227
  7H   1s         0.019833 -0.086601  0.028058 -0.025627  0.145305  0.043227
  8H   1s         0.013859  0.081583  0.045446  0.102702 -0.071616  0.050297
  9H   1s         0.013859 -0.081583 -0.045446  0.102702 -0.071616 -0.050297
 10C   1s         0.124032  0.000331  0.064554  0.043518  0.005469  0.095931
 10C   2s        -0.329661 -0.001581 -0.173211 -0.133012 -0.018832 -0.298322
 10C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 10C   1px        0.042738 -0.013406  0.118487 -0.123499 -0.098491 -0.048469
 10C   1py        0.061915 -0.025010  0.067161 -0.103578  0.022629 -0.126101
 11C   1s         0.124032 -0.000331 -0.064554  0.043518  0.005469 -0.095931
 11C   2s        -0.329661  0.001581  0.173211 -0.133012 -0.018832  0.298322
 11C   1pz       -0.000000 -0.000000 -0.000000 -0.000000 -0.000000  0.000000
 11C   1px       -0.042738 -0.013406  0.118487  0.123499  0.098491 -0.048469
 11C   1py       -0.061915 -0.025010  0.067161  0.103578 -0.022629 -0.126101
 12H   1s        -0.070241 -0.008519 -0.041359 -0.063850  0.027362 -0.151763
 13H   1s        -0.070241  0.008519  0.041359 -0.063850  0.027362  0.151763
 14C   1s         0.113237 -0.012539  0.111110 -0.081961 -0.045916 -0.087458
 14C   2s        -0.296748  0.032513 -0.299736  0.235289  0.136326  0.269950
 14C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 14C   1px       -0.054877  0.007421 -0.026603 -0.016470 -0.043361 -0.062359
 14C   1py       -0.063778  0.000295 -0.048981 -0.025275  0.010483 -0.123686
 15C   1s         0.113237  0.012539 -0.111110 -0.081961 -0.045916  0.087458
 15C   2s        -0.296748 -0.032513  0.299736  0.235289  0.136326 -0.269950
 15C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
 15C   1px        0.054877  0.007421 -0.026603  0.016470  0.043361 -0.062359
 15C   1py        0.063778  0.000295 -0.048981  0.025275 -0.010483 -0.123686
 16H   1s        -0.066037  0.011832 -0.071278  0.090541  0.029375  0.154084
 17H   1s        -0.066037 -0.011832  0.071278  0.090541  0.029375 -0.154084
 18H   1s        -0.062669  0.006602 -0.077388  0.082005  0.065407  0.119924
 19H   1s        -0.062669 -0.006602  0.077388  0.082005  0.065407 -0.119924
                     18        19        20        21        22        23   
                  -0.69681  -0.64461  -0.62925  -0.59762  -0.58959  -0.58138
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.048111  0.031898 -0.017008  0.052433  0.047620 -0.017929
  0C   2s         0.144508 -0.106179  0.059273 -0.180841 -0.164504  0.060158
  0C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  0C   1px       -0.159288 -0.128175  0.118827 -0.087172  0.181363  0.000087
  0C   1py       -0.035977  0.032571  0.191214  0.163891 -0.124390 -0.012715
  1C   1s        -0.048111  0.031898  0.017008 -0.052433 -0.047620 -0.017929
  1C   2s         0.144508 -0.106179 -0.059273  0.180841  0.164504  0.060158
  1C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000  0.000000
  1C   1px        0.159288  0.128175  0.118827 -0.087172  0.181363 -0.000087
  1C   1py        0.035977 -0.032571  0.191214  0.163891 -0.124390  0.012715
  2C   1s         0.014038  0.016874  0.017414 -0.047747 -0.023514  0.024516
  2C   2s        -0.048648 -0.063388 -0.059315  0.163786  0.084480 -0.082931
  2C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  2C   1px        0.049303 -0.159037 -0.209745 -0.059284  0.094458  0.073988
  2C   1py        0.204537  0.104655 -0.052969 -0.202828 -0.090279  0.008509
  3C   1s         0.014038  0.016874 -0.017414  0.047747  0.023514  0.024516
  3C   2s        -0.048648 -0.063388  0.059315 -0.163786 -0.084480 -0.082931
  3C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  3C   1px       -0.049303  0.159037 -0.209745 -0.059284  0.094458 -0.073988
  3C   1py       -0.204537 -0.104655 -0.052969 -0.202828 -0.090279 -0.008509
  4C   1s         0.051982 -0.016697 -0.037306  0.048427  0.013857 -0.020412
  4C   2s        -0.167631  0.046640  0.121627 -0.167518 -0.052887  0.075930
  4C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
  4C   1px        0.000754  0.116483  0.154975  0.181995  0.004045 -0.124175
  4C   1py        0.209213  0.106174 -0.080109  0.028968  0.293319 -0.055214
  5C   1s         0.051982 -0.016697  0.037306 -0.048427 -0.013857 -0.020412
  5C   2s        -0.167631  0.046640 -0.121627  0.167518  0.052887  0.075930
  5C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  5C   1px       -0.000754 -0.116483  0.154975  0.181995  0.004045  0.124175
  5C   1py       -0.209213 -0.106174 -0.080109  0.028968  0.293319  0.055214
  6H   1s        -0.103336 -0.122800 -0.067643  0.179189  0.128866 -0.009291
  7H   1s        -0.103336 -0.122800  0.067643 -0.179189 -0.128866 -0.009291
  8H   1s        -0.158229 -0.085082  0.039190 -0.148711 -0.229633  0.105566
  9H   1s        -0.158229 -0.085082 -0.039190  0.148711  0.229633  0.105566
 10C   1s         0.056766 -0.049669  0.012854  0.013538  0.004766  0.023283
 10C   2s        -0.175878  0.160061 -0.038690 -0.036749 -0.017174 -0.066879
 10C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000 -0.000000
 10C   1px       -0.013924 -0.197459 -0.133936  0.200648 -0.116517  0.015104
 10C   1py       -0.066083  0.083971  0.194405  0.036638 -0.020209  0.275901
 11C   1s         0.056766 -0.049669 -0.012854 -0.013538 -0.004766  0.023283
 11C   2s        -0.175878  0.160061  0.038690  0.036749  0.017174 -0.066879
 11C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 11C   1px        0.013924  0.197459 -0.133936  0.200648 -0.116517 -0.015104
 11C   1py        0.066083 -0.083971  0.194405  0.036638 -0.020209 -0.275901
 12H   1s        -0.096646  0.150689  0.138065 -0.055784  0.000884  0.151832
 13H   1s        -0.096646  0.150689 -0.138065  0.055784 -0.000884  0.151832
 14C   1s        -0.056497  0.025920 -0.015155 -0.015895 -0.004595 -0.002810
 14C   2s         0.178017 -0.093664  0.054695  0.066016  0.009556  0.024787
 14C   1pz       -0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 14C   1px       -0.061564 -0.023123 -0.204523 -0.039083 -0.109145 -0.337949
 14C   1py       -0.078330  0.221510  0.045184 -0.199812  0.165146 -0.060537
 15C   1s        -0.056497  0.025920  0.015155  0.015895  0.004595 -0.002810
 15C   2s         0.178017 -0.093664 -0.054695 -0.066016 -0.009556  0.024787
 15C   1pz       -0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
 15C   1px        0.061564  0.023123 -0.204523 -0.039083 -0.109145  0.337949
 15C   1py        0.078330 -0.221510  0.045184 -0.199812  0.165146  0.060537
 16H   1s         0.089607 -0.181650 -0.048564  0.140350 -0.151788 -0.016778
 17H   1s         0.089607 -0.181650  0.048564 -0.140350  0.151788 -0.016778
 18H   1s         0.092085 -0.006524  0.153795  0.036374  0.096088  0.248403
 19H   1s         0.092085 -0.006524 -0.153795 -0.036374 -0.096088  0.248403
                     24        25        26        27        28        29   
                  -0.56448  -0.54573  -0.53154  -0.51362  -0.49580  -0.48814
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.004499 -0.005366 -0.023299  0.000000 -0.013509  0.005871
  0C   2s        -0.015756  0.019749  0.084131  0.000000  0.056428 -0.030135
  0C   1pz        0.000000  0.000000 -0.000000 -0.335653  0.000000  0.000000
  0C   1px        0.080696  0.139125 -0.054242  0.000000  0.226696 -0.224156
  0C   1py        0.108001  0.164913  0.087909 -0.000000 -0.045511 -0.201925
  1C   1s        -0.004499  0.005366 -0.023299 -0.000000  0.013509  0.005871
  1C   2s         0.015756 -0.019749  0.084131 -0.000000 -0.056428 -0.030135
  1C   1pz        0.000000 -0.000000  0.000000 -0.335653 -0.000000 -0.000000
  1C   1px        0.080696  0.139125  0.054242 -0.000000  0.226696  0.224156
  1C   1py        0.108001  0.164913 -0.087909  0.000000 -0.045511  0.201925
  2C   1s         0.020774  0.014108 -0.008323  0.000000  0.003704 -0.000277
  2C   2s        -0.064019 -0.052505  0.038821 -0.000000 -0.010259 -0.000750
  2C   1pz       -0.000000 -0.000000  0.000000 -0.298757 -0.000000 -0.000000
  2C   1px        0.181933 -0.201870  0.191839 -0.000000  0.052957  0.220838
  2C   1py       -0.308624 -0.093269 -0.110228  0.000000 -0.045582  0.197841
  3C   1s        -0.020774 -0.014108 -0.008323  0.000000 -0.003704 -0.000277
  3C   2s         0.064019  0.052505  0.038821 -0.000000  0.010259 -0.000750
  3C   1pz        0.000000  0.000000  0.000000 -0.298757 -0.000000 -0.000000
  3C   1px        0.181933 -0.201870 -0.191839 -0.000000  0.052957 -0.220838
  3C   1py       -0.308624 -0.093269  0.110228  0.000000 -0.045582 -0.197841
  4C   1s         0.016800 -0.007800  0.008383 -0.000000 -0.010247  0.004175
  4C   2s        -0.052936  0.022258 -0.027844  0.000000  0.035996 -0.006514
  4C   1pz       -0.000000  0.000000 -0.000000 -0.299157 -0.000000 -0.000000
  4C   1px       -0.168529  0.202387 -0.180203  0.000000 -0.028450 -0.197924
  4C   1py       -0.221547 -0.007597  0.042701  0.000000  0.124449 -0.158278
  5C   1s        -0.016800  0.007800  0.008383  0.000000  0.010247  0.004175
  5C   2s         0.052936 -0.022258 -0.027844 -0.000000 -0.035996 -0.006514
  5C   1pz       -0.000000 -0.000000  0.000000 -0.299157 -0.000000  0.000000
  5C   1px       -0.168529  0.202387  0.180203 -0.000000 -0.028450  0.197924
  5C   1py       -0.221547 -0.007597 -0.042701 -0.000000  0.124449  0.158278
  6H   1s         0.251791 -0.031554  0.170032  0.000000  0.038790 -0.058058
  7H   1s        -0.251791  0.031554  0.170032  0.000000 -0.038790 -0.058058
  8H   1s         0.192231 -0.060502  0.004556  0.000000 -0.041649  0.249510
  9H   1s        -0.192231  0.060502  0.004556  0.000000  0.041649  0.249510
 10C   1s        -0.003764 -0.002127  0.022440  0.000000 -0.004465  0.013885
 10C   2s         0.009713 -0.008797 -0.092360 -0.000000  0.021485 -0.059768
 10C   1pz       -0.000000 -0.000000  0.000000 -0.178214  0.000000 -0.000000
 10C   1px       -0.080589 -0.136945 -0.090064  0.000000 -0.176158 -0.228467
 10C   1py       -0.015295 -0.246676 -0.207100 -0.000000  0.206723  0.011900
 11C   1s         0.003764  0.002127  0.022440  0.000000  0.004465  0.013885
 11C   2s        -0.009713  0.008797 -0.092360 -0.000000 -0.021485 -0.059768
 11C   1pz       -0.000000  0.000000  0.000000 -0.178214 -0.000000 -0.000000
 11C   1px       -0.080589 -0.136945  0.090064  0.000000 -0.176158  0.228467
 11C   1py       -0.015295 -0.246676  0.207100 -0.000000  0.206723 -0.011900
 12H   1s         0.004582 -0.140910 -0.166947  0.000000  0.256296  0.066758
 13H   1s        -0.004582  0.140910 -0.166947 -0.000000 -0.256296  0.066758
 14C   1s         0.004306 -0.013165 -0.009594 -0.000000  0.006436 -0.004558
 14C   2s        -0.019486  0.029604  0.022927 -0.000000 -0.023278  0.008664
 14C   1pz       -0.000000  0.000000 -0.000000 -0.082201  0.000000  0.000000
 14C   1px        0.010017  0.261221 -0.089487 -0.000000  0.185855  0.156700
 14C   1py        0.087189  0.142321  0.281190  0.000000 -0.203976  0.030238
 15C   1s        -0.004306  0.013165 -0.009594 -0.000000 -0.006436 -0.004558
 15C   2s         0.019486 -0.029604  0.022927 -0.000000  0.023278  0.008664
 15C   1pz        0.000000  0.000000  0.000000 -0.082201  0.000000  0.000000
 15C   1px        0.010017  0.261221  0.089487 -0.000000  0.185855 -0.156700
 15C   1py        0.087189  0.142321 -0.281190  0.000000 -0.203976 -0.030238
 16H   1s        -0.054886 -0.037196 -0.243050  0.000000  0.240723  0.063634
 17H   1s         0.054886  0.037196 -0.243050  0.000000 -0.240723  0.063634
 18H   1s        -0.007862 -0.180190  0.118312 -0.000000 -0.212314 -0.141988
 19H   1s         0.007862  0.180190  0.118312  0.000000  0.212314 -0.141988
                     30        31        32        33        34        35   
                  -0.47748  -0.44701  -0.38749  -0.38495  -0.29669  -0.14325
                   1.00000   1.00000   1.00000   1.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.010667 -0.000000  0.000000  0.000000 -0.000000  0.000000
  0C   2s         0.047537 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  0C   1pz       -0.000000  0.360541 -0.004396 -0.012582 -0.377339  0.462139
  0C   1px        0.157664  0.000000 -0.000000 -0.000000  0.000000  0.000000
  0C   1py       -0.245880 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  1C   1s        -0.010667  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  1C   2s         0.047537  0.000000  0.000000 -0.000000  0.000000 -0.000000
  1C   1pz       -0.000000 -0.360541  0.004396 -0.012582  0.377339  0.462139
  1C   1px       -0.157664  0.000000  0.000000  0.000000  0.000000 -0.000000
  1C   1py        0.245880 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
  2C   1s        -0.006337  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  2C   2s         0.015510  0.000000  0.000000 -0.000000  0.000000  0.000000
  2C   1pz        0.000000  0.130191 -0.462147  0.195218 -0.221449 -0.215552
  2C   1px       -0.101337  0.000000 -0.000000 -0.000000  0.000000  0.000000
  2C   1py        0.199490  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  3C   1s        -0.006337 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  3C   2s         0.015510 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
  3C   1pz       -0.000000 -0.130191  0.462147  0.195218  0.221449 -0.215552
  3C   1px        0.101337 -0.000000  0.000000  0.000000  0.000000  0.000000
  3C   1py       -0.199490  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  4C   1s         0.003265  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  4C   2s        -0.007710 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  4C   1pz        0.000000 -0.132915 -0.459090  0.192135  0.231136 -0.282030
  4C   1px        0.134700 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  4C   1py       -0.243472 -0.000000 -0.000000 -0.000000  0.000000  0.000000
  5C   1s         0.003265 -0.000000  0.000000  0.000000 -0.000000  0.000000
  5C   2s        -0.007710  0.000000 -0.000000 -0.000000  0.000000  0.000000
  5C   1pz        0.000000  0.132915  0.459090  0.192135 -0.231136 -0.282030
  5C   1px       -0.134700 -0.000000  0.000000  0.000000 -0.000000 -0.000000
  5C   1py        0.243472 -0.000000  0.000000  0.000000 -0.000000 -0.000000
  6H   1s        -0.238102 -0.000000  0.000000  0.000000 -0.000000  0.000000
  7H   1s        -0.238102  0.000000  0.000000  0.000000  0.000000  0.000000
  8H   1s         0.129218 -0.000000 -0.000000  0.000000  0.000000  0.000000
  9H   1s         0.129218  0.000000 -0.000000  0.000000 -0.000000  0.000000
 10C   1s        -0.006956 -0.000000 -0.000000  0.000000  0.000000  0.000000
 10C   2s         0.022566  0.000000  0.000000  0.000000  0.000000 -0.000000
 10C   1pz       -0.000000 -0.390085  0.002341 -0.446257 -0.258957  0.193748
 10C   1px        0.147408 -0.000000  0.000000  0.000000 -0.000000  0.000000
 10C   1py       -0.140456  0.000000  0.000000 -0.000000  0.000000  0.000000
 11C   1s        -0.006956 -0.000000  0.000000 -0.000000  0.000000 -0.000000
 11C   2s         0.022566 -0.000000  0.000000  0.000000 -0.000000 -0.000000
 11C   1pz        0.000000  0.390085 -0.002341 -0.446257  0.258957  0.193748
 11C   1px       -0.147408  0.000000  0.000000  0.000000 -0.000000  0.000000
 11C   1py        0.140456 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 12H   1s        -0.195836 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 13H   1s        -0.195836  0.000000 -0.000000 -0.000000  0.000000 -0.000000
 14C   1s        -0.005177 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 14C   2s         0.019832  0.000000  0.000000  0.000000  0.000000  0.000000
 14C   1pz        0.000000 -0.236387 -0.006776 -0.370125 -0.382584 -0.466011
 14C   1px       -0.089789 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 14C   1py        0.125348  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 15C   1s        -0.005177 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 15C   2s         0.019832  0.000000  0.000000 -0.000000  0.000000  0.000000
 15C   1pz       -0.000000  0.236387  0.006776 -0.370125  0.382584 -0.466011
 15C   1px        0.089789 -0.000000  0.000000 -0.000000  0.000000 -0.000000
 15C   1py       -0.125348 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 16H   1s        -0.140932 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 17H   1s        -0.140932 -0.000000 -0.000000  0.000000  0.000000 -0.000000
 18H   1s         0.116269 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 19H   1s         0.116269 -0.000000 -0.000000  0.000000 -0.000000  0.000000
                     36        37        38        39        40        41   
                  -0.09968  -0.06989  -0.00445   0.07996   0.14580   0.15445
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.000000  0.000000  0.000000 -0.000000  0.078832 -0.046534
  0C   2s        -0.000000 -0.000000  0.000000  0.000000 -0.465666  0.272241
  0C   1pz        0.041501  0.036371  0.479988  0.542409 -0.000000 -0.000000
  0C   1px        0.000000  0.000000 -0.000000 -0.000000 -0.310371  0.256721
  0C   1py       -0.000000 -0.000000  0.000000  0.000000  0.042366 -0.265994
  1C   1s         0.000000 -0.000000 -0.000000  0.000000  0.078832  0.046534
  1C   2s        -0.000000  0.000000  0.000000  0.000000 -0.465666 -0.272241
  1C   1pz        0.041501 -0.036371  0.479988 -0.542409 -0.000000  0.000000
  1C   1px       -0.000000  0.000000  0.000000 -0.000000  0.310371  0.256721
  1C   1py        0.000000  0.000000 -0.000000 -0.000000 -0.042366 -0.265994
  2C   1s         0.000000 -0.000000 -0.000000  0.000000  0.022902  0.014453
  2C   2s        -0.000000  0.000000 -0.000000 -0.000000 -0.140778 -0.082383
  2C   1pz       -0.586824 -0.246420 -0.154899 -0.460046  0.000000  0.000000
  2C   1px       -0.000000 -0.000000 -0.000000  0.000000 -0.076320  0.096996
  2C   1py        0.000000  0.000000  0.000000 -0.000000  0.285633 -0.334778
  3C   1s         0.000000  0.000000 -0.000000 -0.000000  0.022902 -0.014453
  3C   2s        -0.000000 -0.000000  0.000000  0.000000 -0.140778  0.082383
  3C   1pz       -0.586824  0.246420 -0.154899  0.460046 -0.000000 -0.000000
  3C   1px        0.000000  0.000000 -0.000000  0.000000  0.076320  0.096996
  3C   1py        0.000000  0.000000 -0.000000 -0.000000 -0.285633 -0.334778
  4C   1s        -0.000000  0.000000 -0.000000 -0.000000  0.040698 -0.019363
  4C   2s         0.000000 -0.000000  0.000000  0.000000 -0.246606  0.114172
  4C   1pz        0.547986  0.237367 -0.189882  0.462332 -0.000000 -0.000000
  4C   1px       -0.000000 -0.000000  0.000000  0.000000  0.060876  0.108221
  4C   1py        0.000000 -0.000000 -0.000000  0.000000  0.215746 -0.253399
  5C   1s         0.000000  0.000000  0.000000 -0.000000  0.040698  0.019363
  5C   2s         0.000000  0.000000  0.000000 -0.000000 -0.246606 -0.114172
  5C   1pz        0.547986 -0.237367 -0.189882 -0.462332  0.000000 -0.000000
  5C   1px        0.000000  0.000000 -0.000000 -0.000000 -0.060876  0.108221
  5C   1py        0.000000  0.000000  0.000000  0.000000 -0.215746 -0.253399
  6H   1s        -0.000000 -0.000000  0.000000 -0.000000  0.391972 -0.309150
  7H   1s         0.000000 -0.000000 -0.000000  0.000000  0.391972  0.309150
  8H   1s         0.000000 -0.000000  0.000000 -0.000000  0.401510 -0.231496
  9H   1s        -0.000000 -0.000000  0.000000  0.000000  0.401510  0.231496
 10C   1s         0.000000 -0.000000 -0.000000  0.000000 -0.058029 -0.015262
 10C   2s        -0.000000  0.000000 -0.000000  0.000000  0.333787  0.090396
 10C   1pz       -0.004276 -0.490647 -0.527836  0.295382 -0.000000  0.000000
 10C   1px       -0.000000  0.000000 -0.000000 -0.000000  0.404843  0.323040
 10C   1py       -0.000000 -0.000000 -0.000000  0.000000 -0.179598 -0.281792
 11C   1s         0.000000  0.000000  0.000000 -0.000000 -0.058029  0.015262
 11C   2s        -0.000000 -0.000000  0.000000  0.000000  0.333787 -0.090396
 11C   1pz       -0.004276  0.490647 -0.527836 -0.295382 -0.000000  0.000000
 11C   1px        0.000000 -0.000000 -0.000000 -0.000000 -0.404843  0.323040
 11C   1py        0.000000  0.000000 -0.000000 -0.000000  0.179598 -0.281792
 12H   1s        -0.000000  0.000000  0.000000 -0.000000  0.127466  0.370049
 13H   1s         0.000000  0.000000 -0.000000  0.000000  0.127466 -0.370049
 14C   1s        -0.000000 -0.000000  0.000000  0.000000  0.036496  0.008433
 14C   2s        -0.000000  0.000000 -0.000000  0.000000 -0.208940 -0.051430
 14C   1pz       -0.018499  0.546289  0.410384 -0.170138  0.000000 -0.000000
 14C   1px        0.000000 -0.000000 -0.000000 -0.000000  0.141665  0.186780
 14C   1py        0.000000 -0.000000 -0.000000 -0.000000 -0.131790 -0.282854
 15C   1s        -0.000000  0.000000 -0.000000  0.000000  0.036496 -0.008433
 15C   2s        -0.000000 -0.000000 -0.000000  0.000000 -0.208940  0.051430
 15C   1pz       -0.018499 -0.546289  0.410384  0.170138 -0.000000  0.000000
 15C   1px       -0.000000 -0.000000  0.000000  0.000000 -0.141665  0.186780
 15C   1py       -0.000000 -0.000000  0.000000  0.000000  0.131790 -0.282854
 16H   1s         0.000000  0.000000  0.000000 -0.000000 -0.136094 -0.318524
 17H   1s         0.000000  0.000000  0.000000  0.000000 -0.136094  0.318524
 18H   1s         0.000000  0.000000 -0.000000 -0.000000  0.334918  0.293749
 19H   1s         0.000000  0.000000  0.000000 -0.000000  0.334918 -0.293749
                     42        43        44        45        46        47   
                   0.18484   0.20146   0.22400   0.22940   0.24564   0.25004
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.059191  0.031056  0.074540  0.086805  0.010730  0.119705
  0C   2s         0.342777 -0.189512 -0.452799 -0.519074 -0.074089 -0.734740
  0C   1pz       -0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  0C   1px        0.427279  0.082264 -0.064288  0.130528  0.189617  0.139362
  0C   1py        0.241150  0.146210 -0.336263 -0.119799 -0.072843  0.091908
  1C   1s         0.059191  0.031056  0.074540 -0.086805 -0.010730  0.119705
  1C   2s        -0.342777 -0.189512 -0.452799  0.519074  0.074089 -0.734740
  1C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  1C   1px        0.427279 -0.082264  0.064288  0.130528  0.189617 -0.139362
  1C   1py        0.241150 -0.146210  0.336263 -0.119799 -0.072843 -0.091908
  2C   1s         0.025116 -0.076738  0.061840 -0.084981 -0.037981 -0.107099
  2C   2s        -0.150419  0.472389 -0.379237  0.508526  0.238472  0.670181
  2C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  2C   1px        0.236574  0.125224  0.251121  0.105801  0.324110  0.212067
  2C   1py        0.217381  0.045217  0.029974 -0.099542 -0.224394  0.076461
  3C   1s        -0.025116 -0.076738  0.061840  0.084981  0.037981 -0.107099
  3C   2s         0.150419  0.472389 -0.379237 -0.508526 -0.238472  0.670181
  3C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
  3C   1px        0.236574 -0.125224 -0.251121  0.105801  0.324110 -0.212067
  3C   1py        0.217381 -0.045217 -0.029974 -0.099542 -0.224394 -0.076461
  4C   1s        -0.014832 -0.018669 -0.129398  0.108072 -0.017273 -0.030615
  4C   2s         0.085136  0.119367  0.797939 -0.657091  0.116371  0.194228
  4C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  4C   1px        0.249297 -0.208306 -0.036694  0.222944  0.096185 -0.296971
  4C   1py        0.335012 -0.200093  0.097446  0.004611 -0.238269  0.231027
  5C   1s         0.014832 -0.018669 -0.129398 -0.108072  0.017273 -0.030615
  5C   2s        -0.085136  0.119367  0.797939  0.657091 -0.116371  0.194228
  5C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  5C   1px        0.249297  0.208306  0.036694  0.222944  0.096185  0.296971
  5C   1py        0.335012  0.200093 -0.097446  0.004611 -0.238269 -0.231027
  6H   1s         0.148341 -0.317226  0.120955 -0.428282 -0.498641 -0.352797
  7H   1s        -0.148341 -0.317226  0.120955  0.428282  0.498641 -0.352797
  8H   1s         0.399833 -0.307282 -0.308085  0.428126 -0.184570 -0.076201
  9H   1s        -0.399833 -0.307282 -0.308085 -0.428126  0.184570 -0.076201
 10C   1s        -0.099440  0.057398 -0.034478  0.020847 -0.071765 -0.081897
 10C   2s         0.585797 -0.345892  0.210898 -0.132361  0.454957  0.497145
 10C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
 10C   1px        0.330573  0.114478  0.198534 -0.089212 -0.017030 -0.000283
 10C   1py        0.063881 -0.303725  0.191282 -0.141599  0.269865  0.096458
 11C   1s         0.099440  0.057398 -0.034478 -0.020847  0.071765 -0.081897
 11C   2s        -0.585797 -0.345892  0.210898  0.132361 -0.454957  0.497145
 11C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 11C   1px        0.330573 -0.114478 -0.198534 -0.089212 -0.017030  0.000283
 11C   1py        0.063881  0.303725 -0.191282 -0.141599  0.269865 -0.096458
 12H   1s        -0.255608  0.553901 -0.226408  0.132257 -0.490224 -0.339636
 13H   1s         0.255608  0.553901 -0.226408 -0.132257  0.490224 -0.339636
 14C   1s         0.033217 -0.016382 -0.079472  0.070036 -0.034944  0.074868
 14C   2s        -0.187159  0.090960  0.499596 -0.438418  0.225503 -0.457831
 14C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
 14C   1px        0.068870  0.261491  0.013626  0.029025 -0.342076 -0.058214
 14C   1py       -0.057946 -0.257133 -0.189792  0.218584 -0.018934  0.083966
 15C   1s        -0.033217 -0.016382 -0.079472 -0.070036  0.034944  0.074868
 15C   2s         0.187159  0.090960  0.499596  0.438418 -0.225503 -0.457831
 15C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
 15C   1px        0.068870 -0.261491 -0.013626  0.029025 -0.342076  0.058214
 15C   1py       -0.057946  0.257133  0.189792  0.218584 -0.018934 -0.083966
 16H   1s        -0.018957 -0.374923 -0.402552  0.373174  0.017628  0.329966
 17H   1s         0.018957 -0.374923 -0.402552 -0.373174 -0.017628  0.329966
 18H   1s         0.215827  0.247291 -0.213878  0.225529 -0.433472  0.177995
 19H   1s        -0.215827  0.247291 -0.213878 -0.225529  0.433472  0.177995
                     48        49        50        51        52        53   
                   0.27375   0.29416   0.32725   0.35142   0.38516   0.40370
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.056811 -0.022903 -0.051216 -0.001419  0.001490  0.062572
  0C   2s        -0.343746  0.144243  0.351339  0.017444 -0.004828 -0.433285
  0C   1pz       -0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
  0C   1px        0.084830  0.038598 -0.632233 -0.018884 -0.045241 -0.072758
  0C   1py        0.206420 -0.315925  0.029957  0.554825  0.151766  0.192071
  1C   1s        -0.056811 -0.022903 -0.051216  0.001419  0.001490 -0.062572
  1C   2s         0.343746  0.144243  0.351339 -0.017444 -0.004828  0.433285
  1C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
  1C   1px        0.084830 -0.038598  0.632233 -0.018884  0.045241 -0.072758
  1C   1py        0.206420  0.315925 -0.029957  0.554825 -0.151766  0.192071
  2C   1s        -0.059007  0.086120  0.002263 -0.095734  0.010197  0.045611
  2C   2s         0.365002 -0.548776 -0.017880  0.643862 -0.058651 -0.309423
  2C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  2C   1px        0.140875  0.167992 -0.042988  0.137967 -0.257307  0.664760
  2C   1py        0.172700 -0.107954 -0.461735 -0.035620  0.509784  0.336291
  3C   1s         0.059007  0.086120  0.002263  0.095734  0.010197 -0.045611
  3C   2s        -0.365002 -0.548776 -0.017880 -0.643862 -0.058651  0.309423
  3C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  3C   1px        0.140875 -0.167992  0.042988  0.137967  0.257307  0.664760
  3C   1py        0.172700  0.107954  0.461735 -0.035620 -0.509784  0.336291
  4C   1s         0.047506 -0.087979  0.037320 -0.042158 -0.013327 -0.086229
  4C   2s        -0.289062  0.562875 -0.243591  0.292279  0.078413  0.591616
  4C   1pz        0.000000  0.000000 -0.000000  0.000000  0.000000 -0.000000
  4C   1px        0.059736  0.183304 -0.014996 -0.496608 -0.279423  0.477464
  4C   1py        0.137502 -0.020987 -0.348831  0.087274 -0.560946 -0.292368
  5C   1s        -0.047506 -0.087979  0.037320  0.042158 -0.013327  0.086229
  5C   2s         0.289062  0.562875 -0.243591 -0.292279  0.078413 -0.591616
  5C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  5C   1px        0.059736 -0.183304  0.014996 -0.496608  0.279423  0.477464
  5C   1py        0.137502  0.020987  0.348831  0.087274  0.560946 -0.292368
  6H   1s        -0.095519  0.104855 -0.295618 -0.349901  0.497091  0.110914
  7H   1s         0.095519  0.104855 -0.295618  0.349901  0.497091 -0.110914
  8H   1s         0.364354 -0.261619 -0.133180 -0.259533 -0.551303 -0.270978
  9H   1s        -0.364354 -0.261619 -0.133180  0.259533 -0.551303  0.270978
 10C   1s         0.069869  0.026964 -0.087610  0.022285 -0.045949  0.058168
 10C   2s        -0.426430 -0.194753  0.569254 -0.167900  0.314950 -0.397798
 10C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
 10C   1px        0.133262 -0.060578 -0.001881  0.023433 -0.136364  0.015545
 10C   1py        0.008977 -0.077204  0.122723  0.230317 -0.145282 -0.044459
 11C   1s        -0.069869  0.026964 -0.087610 -0.022285 -0.045949 -0.058168
 11C   2s         0.426430 -0.194753  0.569254  0.167900  0.314950  0.397798
 11C   1pz        0.000000 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
 11C   1px        0.133262  0.060578  0.001881  0.023433  0.136364  0.015545
 11C   1py        0.008977  0.077204 -0.122723  0.230317  0.145282 -0.044459
 12H   1s         0.264804  0.098635 -0.325640 -0.131543 -0.085078  0.217097
 13H   1s        -0.264804  0.098635 -0.325640  0.131543 -0.085078 -0.217097
 14C   1s        -0.125310  0.085903  0.030664  0.003849  0.043937 -0.001345
 14C   2s         0.788210 -0.548093 -0.192397 -0.012527 -0.299541  0.005952
 14C   1pz       -0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
 14C   1px        0.026779  0.375799  0.133232  0.454064 -0.235878  0.087875
 14C   1py       -0.172502  0.226196 -0.291181  0.099679 -0.096841  0.230697
 15C   1s         0.125310  0.085903  0.030664 -0.003849  0.043937  0.001345
 15C   2s        -0.788210 -0.548093 -0.192397  0.012527 -0.299541 -0.005952
 15C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
 15C   1px        0.026779 -0.375799 -0.133232  0.454064  0.235878  0.087875
 15C   1py       -0.172502 -0.226196  0.291181  0.099679  0.096841  0.230697
 16H   1s        -0.589630  0.374299 -0.164433 -0.020996  0.169817  0.185466
 17H   1s         0.589630  0.374299 -0.164433  0.020996  0.169817 -0.185466
 18H   1s        -0.345536  0.569903  0.249544  0.379535 -0.054441  0.035059
 19H   1s         0.345536  0.569903  0.249544 -0.379535 -0.054441 -0.035059
                     54        55        56        57        58        59   
                   0.43346   0.44441   0.48520   0.51513   0.57506   0.58862
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.080351  0.015239 -0.018979  0.021088 -0.005710 -0.041497
  0C   2s         0.547432 -0.093521  0.121740 -0.148924  0.037889  0.311669
  0C   1pz        0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
  0C   1px       -0.007722 -0.299838  0.355337  0.064971  0.067812 -0.662649
  0C   1py        0.197990  0.081203  0.188024  0.456834 -0.689252  0.054403
  1C   1s         0.080351  0.015239 -0.018979 -0.021088 -0.005710  0.041497
  1C   2s        -0.547432 -0.093521  0.121740  0.148924  0.037889 -0.311669
  1C   1pz       -0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
  1C   1px       -0.007722  0.299838 -0.355337  0.064971 -0.067812 -0.662649
  1C   1py        0.197990 -0.081203 -0.188024  0.456834  0.689252  0.054403
  2C   1s        -0.001565  0.025299  0.018367 -0.045051  0.005647  0.047608
  2C   2s         0.021401 -0.179556 -0.131538  0.326578 -0.040127 -0.347479
  2C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  2C   1px        0.014160  0.452867  0.333572  0.090407 -0.489250  0.330465
  2C   1py       -0.249714 -0.148818  0.176270  0.218228 -0.322977 -0.520693
  3C   1s         0.001565  0.025299  0.018367  0.045051  0.005647 -0.047608
  3C   2s        -0.021401 -0.179556 -0.131538 -0.326578 -0.040127  0.347479
  3C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000  0.000000
  3C   1px        0.014160 -0.452867 -0.333572  0.090407  0.489250  0.330465
  3C   1py       -0.249714  0.148818 -0.176270  0.218228  0.322977 -0.520693
  4C   1s        -0.037513 -0.033881 -0.012311 -0.020205 -0.005158 -0.052780
  4C   2s         0.251862  0.233465  0.090980  0.150737  0.035722  0.387317
  4C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  4C   1px       -0.167566  0.363928  0.416031 -0.215877 -0.476663  0.305168
  4C   1py        0.304767 -0.096433  0.097104 -0.005067  0.360818  0.555774
  5C   1s         0.037513 -0.033881 -0.012311  0.020205 -0.005158  0.052780
  5C   2s        -0.251862  0.233465  0.090980 -0.150737  0.035722 -0.387317
  5C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  5C   1px       -0.167566 -0.363928 -0.416031 -0.215877  0.476663  0.305168
  5C   1py        0.304767  0.096433 -0.097104 -0.005067 -0.360818  0.555774
  6H   1s        -0.141476 -0.207049  0.055410 -0.014267 -0.010565 -0.288054
  7H   1s         0.141476 -0.207049  0.055410  0.014267 -0.010565  0.288054
  8H   1s         0.000222 -0.034288  0.206620 -0.115038  0.045436  0.295075
  9H   1s        -0.000222 -0.034288  0.206620  0.115038  0.045436 -0.295075
 10C   1s         0.031891 -0.036438 -0.041594 -0.059891 -0.026585  0.010380
 10C   2s        -0.234986  0.260195  0.325222  0.456938  0.213615 -0.060746
 10C   1pz        0.000000 -0.000000  0.000000 -0.000000 -0.000000  0.000000
 10C   1px        0.511091  0.200346 -0.647153 -0.352148 -0.247037 -0.371750
 10C   1py       -0.242083 -0.533678 -0.168158 -0.683378 -0.483584 -0.042514
 11C   1s        -0.031891 -0.036438 -0.041594  0.059891 -0.026585 -0.010380
 11C   2s         0.234986  0.260195  0.325222 -0.456938  0.213615  0.060746
 11C   1pz       -0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
 11C   1px        0.511091 -0.200346  0.647153 -0.352148  0.247037 -0.371750
 11C   1py       -0.242083  0.533678  0.168158 -0.683378  0.483584 -0.042514
 12H   1s         0.391252  0.331030 -0.187469  0.186749  0.167781 -0.056249
 13H   1s        -0.391252  0.331030 -0.187469 -0.186749  0.167781  0.056249
 14C   1s        -0.020755  0.031291  0.045963  0.070461  0.041514  0.010634
 14C   2s         0.144775 -0.230882 -0.344007 -0.532092 -0.324679 -0.089688
 14C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
 14C   1px       -0.338864 -0.574652 -0.047986 -0.478367 -0.279577  0.035044
 14C   1py        0.501495  0.047122 -0.621320 -0.474122 -0.310010 -0.238015
 15C   1s         0.020755  0.031291  0.045963 -0.070461  0.041514 -0.010634
 15C   2s        -0.144775 -0.230882 -0.344007  0.532092 -0.324679  0.089688
 15C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
 15C   1px       -0.338864  0.574652  0.047986 -0.478367  0.279577  0.035044
 15C   1py        0.501495 -0.047122  0.621320 -0.474122  0.310010 -0.238015
 16H   1s         0.384722  0.277615 -0.302033 -0.005312 -0.036020 -0.153194
 17H   1s        -0.384722  0.277615 -0.302033  0.005312 -0.036020  0.153194
 18H   1s        -0.372041 -0.353245  0.152579 -0.106139 -0.053368  0.072272
 19H   1s         0.372041 -0.353245  0.152579  0.106139 -0.053368 -0.072272



                    ********************************
                    * MULLIKEN POPULATION ANALYSIS *
                    ********************************

--------------------------------------------
MULLIKEN ATOMIC CHARGES AND SPIN POPULATIONS
--------------------------------------------
   0 C :    0.055876    0.213562
   1 C :    0.055876    0.213562
   2 C :   -0.038304    0.017217
   3 C :   -0.038304    0.017217
   4 C :   -0.040330    0.027392
   5 C :   -0.040330    0.027392
   6 H :    0.126958   -0.001184
   7 H :    0.126958   -0.001184
   8 H :    0.122901   -0.001637
   9 H :    0.122901   -0.001637
  10 C :   -0.040040   -0.055494
  11 C :   -0.040040   -0.055494
  12 H :    0.124268    0.001895
  13 H :    0.124268    0.001895
  14 C :   -0.076120    0.327415
  15 C :   -0.076120    0.327415
  16 H :    0.123399   -0.014383
  17 H :    0.123399   -0.014383
  18 H :    0.141392   -0.014784
  19 H :    0.141392   -0.014784
Sum of atomic charges         :    1.0000000
Sum of atomic spin populations:    1.0000000

-----------------------------------------------------
MULLIKEN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS
-----------------------------------------------------
CHARGE
  0 C s       :     3.153889  s :     3.153889
      pz      :     0.875835  p :     2.790235
      px      :     0.953831
      py      :     0.960568
  1 C s       :     3.153889  s :     3.153889
      pz      :     0.875835  p :     2.790235
      px      :     0.953831
      py      :     0.960568
  2 C s       :     3.158587  s :     3.158587
      pz      :     0.933682  p :     2.879717
      px      :     0.960647
      py      :     0.985388
  3 C s       :     3.158587  s :     3.158587
      pz      :     0.933682  p :     2.879717
      px      :     0.960647
      py      :     0.985388
  4 C s       :     3.156475  s :     3.156475
      pz      :     0.934925  p :     2.883855
      px      :     0.962467
      py      :     0.986463
  5 C s       :     3.156475  s :     3.156475
      pz      :     0.934925  p :     2.883855
      px      :     0.962467
      py      :     0.986463
  6 H s       :     0.873042  s :     0.873042
  7 H s       :     0.873042  s :     0.873042
  8 H s       :     0.877099  s :     0.877099
  9 H s       :     0.877099  s :     0.877099
 10 C s       :     3.159155  s :     3.159155
      pz      :     0.938284  p :     2.880885
      px      :     0.923944
      py      :     1.018658
 11 C s       :     3.159155  s :     3.159155
      pz      :     0.938284  p :     2.880885
      px      :     0.923944
      py      :     1.018658
 12 H s       :     0.875732  s :     0.875732
 13 H s       :     0.875732  s :     0.875732
 14 C s       :     3.201562  s :     3.201562
      pz      :     0.817274  p :     2.874558
      px      :     1.041525
      py      :     1.015759
 15 C s       :     3.201562  s :     3.201562
      pz      :     0.817274  p :     2.874558
      px      :     1.041525
      py      :     1.015759
 16 H s       :     0.876601  s :     0.876601
 17 H s       :     0.876601  s :     0.876601
 18 H s       :     0.858608  s :     0.858608
 19 H s       :     0.858608  s :     0.858608

SPIN
  0 C s       :     0.013680  s :     0.013680
      pz      :     0.188991  p :     0.199882
      px      :     0.006850
      py      :     0.004041
  1 C s       :     0.013680  s :     0.013680
      pz      :     0.188991  p :     0.199882
      px      :     0.006850
      py      :     0.004041
  2 C s       :    -0.001239  s :    -0.001239
      pz      :     0.023769  p :     0.018457
      px      :    -0.001672
      py      :    -0.003641
  3 C s       :    -0.001239  s :    -0.001239
      pz      :     0.023769  p :     0.018457
      px      :    -0.001672
      py      :    -0.003641
  4 C s       :    -0.000416  s :    -0.000416
      pz      :     0.032271  p :     0.027808
      px      :    -0.001180
      py      :    -0.003283
  5 C s       :    -0.000416  s :    -0.000416
      pz      :     0.032271  p :     0.027808
      px      :    -0.001180
      py      :    -0.003283
  6 H s       :    -0.001184  s :    -0.001184
  7 H s       :    -0.001184  s :    -0.001184
  8 H s       :    -0.001637  s :    -0.001637
  9 H s       :    -0.001637  s :    -0.001637
 10 C s       :    -0.008844  s :    -0.008844
      pz      :    -0.030511  p :    -0.046650
      px      :    -0.009490
      py      :    -0.006650
 11 C s       :    -0.008844  s :    -0.008844
      pz      :    -0.030511  p :    -0.046650
      px      :    -0.009490
      py      :    -0.006650
 12 H s       :     0.001895  s :     0.001895
 13 H s       :     0.001895  s :     0.001895
 14 C s       :     0.021997  s :     0.021997
      pz      :     0.285479  p :     0.305418
      px      :     0.010205
      py      :     0.009733
 15 C s       :     0.021997  s :     0.021997
      pz      :     0.285479  p :     0.305418
      px      :     0.010205
      py      :     0.009733
 16 H s       :    -0.014383  s :    -0.014383
 17 H s       :    -0.014383  s :    -0.014383
 18 H s       :    -0.014784  s :    -0.014784
 19 H s       :    -0.014784  s :    -0.014784

------------------------
MULLIKEN OVERLAP CHARGES
------------------------
B(  0-C ,  2-C ) :   0.9330 B(  0-C ,  3-C ) :  -0.0526 B(  0-C ,  4-C ) :  -0.0527 
B(  0-C ,  5-C ) :   0.9284 B(  0-C , 11-C ) :   0.8562 B(  0-C , 13-H ) :  -0.0505 
B(  1-C ,  2-C ) :  -0.0526 B(  1-C ,  3-C ) :   0.9330 B(  1-C ,  4-C ) :   0.9284 
B(  1-C ,  5-C ) :  -0.0527 B(  1-C , 10-C ) :   0.8562 B(  1-C , 12-H ) :  -0.0505 
B(  2-C ,  4-C ) :   1.0383 B(  2-C ,  5-C ) :  -0.0657 B(  2-C ,  6-H ) :   0.7780 
B(  2-C , 11-C ) :  -0.0556 B(  3-C ,  4-C ) :  -0.0657 B(  3-C ,  5-C ) :   1.0383 
B(  3-C ,  7-H ) :   0.7780 B(  3-C , 10-C ) :  -0.0556 B(  4-C ,  8-H ) :   0.7780 
B(  5-C ,  9-H ) :   0.7780 B( 10-C , 12-H ) :   0.7750 B( 10-C , 14-C ) :   1.1079 
B( 11-C , 13-H ) :   0.7750 B( 11-C , 15-C ) :   1.1079 B( 12-H , 14-C ) :  -0.0541 
B( 13-H , 15-C ) :  -0.0541 B( 14-C , 16-H ) :   0.7675 B( 14-C , 18-H ) :   0.7734 
B( 15-C , 17-H ) :   0.7675 B( 15-C , 19-H ) :   0.7734 


                     *******************************
                     * LOEWDIN POPULATION ANALYSIS *
                     *******************************

-------------------------------------------
LOEWDIN ATOMIC CHARGES AND SPIN POPULATIONS
-------------------------------------------
   0 C :    0.079911    0.203703
   1 C :    0.079911    0.203703
   2 C :   -0.000305    0.020454
   3 C :   -0.000305    0.020454
   4 C :   -0.001828    0.029925
   5 C :   -0.001828    0.029925
   6 H :    0.079889   -0.000878
   7 H :    0.079889   -0.000878
   8 H :    0.077144   -0.001203
   9 H :    0.077144   -0.001203
  10 C :    0.001786   -0.044233
  11 C :    0.001786   -0.044233
  12 H :    0.077293    0.001435
  13 H :    0.077293    0.001435
  14 C :    0.014943    0.312033
  15 C :    0.014943    0.312033
  16 H :    0.078735   -0.010444
  17 H :    0.078735   -0.010444
  18 H :    0.092431   -0.010790
  19 H :    0.092431   -0.010790

----------------------------------------------------
LOEWDIN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS
----------------------------------------------------
CHARGE
  0 C s       :     3.044038  s :     3.044038
      pz      :     0.873103  p :     2.876050
      px      :     0.994527
      py      :     1.008420
  1 C s       :     3.044038  s :     3.044038
      pz      :     0.873103  p :     2.876050
      px      :     0.994527
      py      :     1.008420
  2 C s       :     3.036877  s :     3.036877
      pz      :     0.934857  p :     2.963428
      px      :     1.009459
      py      :     1.019112
  3 C s       :     3.036877  s :     3.036877
      pz      :     0.934857  p :     2.963428
      px      :     1.009459
      py      :     1.019112
  4 C s       :     3.034690  s :     3.034690
      pz      :     0.935878  p :     2.967138
      px      :     1.010659
      py      :     1.020601
  5 C s       :     3.034690  s :     3.034690
      pz      :     0.935878  p :     2.967138
      px      :     1.010659
      py      :     1.020601
  6 H s       :     0.920111  s :     0.920111
  7 H s       :     0.920111  s :     0.920111
  8 H s       :     0.922856  s :     0.922856
  9 H s       :     0.922856  s :     0.922856
 10 C s       :     3.037030  s :     3.037030
      pz      :     0.938144  p :     2.961185
      px      :     0.973944
      py      :     1.049097
 11 C s       :     3.037030  s :     3.037030
      pz      :     0.938144  p :     2.961185
      px      :     0.973944
      py      :     1.049097
 12 H s       :     0.922707  s :     0.922707
 13 H s       :     0.922707  s :     0.922707
 14 C s       :     3.053896  s :     3.053896
      pz      :     0.818018  p :     2.931160
      px      :     1.064249
      py      :     1.048893
 15 C s       :     3.053896  s :     3.053896
      pz      :     0.818018  p :     2.931160
      px      :     1.064249
      py      :     1.048893
 16 H s       :     0.921265  s :     0.921265
 17 H s       :     0.921265  s :     0.921265
 18 H s       :     0.907569  s :     0.907569
 19 H s       :     0.907569  s :     0.907569

SPIN
  0 C s       :     0.008855  s :     0.008855
      pz      :     0.186427  p :     0.194848
      px      :     0.005325
      py      :     0.003095
  1 C s       :     0.008855  s :     0.008855
      pz      :     0.186427  p :     0.194848
      px      :     0.005325
      py      :     0.003095
  2 C s       :    -0.000617  s :    -0.000617
      pz      :     0.024831  p :     0.021070
      px      :    -0.001175
      py      :    -0.002585
  3 C s       :    -0.000617  s :    -0.000617
      pz      :     0.024831  p :     0.021070
      px      :    -0.001175
      py      :    -0.002585
  4 C s       :    -0.000108  s :    -0.000108
      pz      :     0.033171  p :     0.030033
      px      :    -0.000825
      py      :    -0.002314
  5 C s       :    -0.000108  s :    -0.000108
      pz      :     0.033171  p :     0.030033
      px      :    -0.000825
      py      :    -0.002314
  6 H s       :    -0.000878  s :    -0.000878
  7 H s       :    -0.000878  s :    -0.000878
  8 H s       :    -0.001203  s :    -0.001203
  9 H s       :    -0.001203  s :    -0.001203
 10 C s       :    -0.005197  s :    -0.005197
      pz      :    -0.027433  p :    -0.039036
      px      :    -0.006989
      py      :    -0.004614
 11 C s       :    -0.005197  s :    -0.005197
      pz      :    -0.027433  p :    -0.039036
      px      :    -0.006989
      py      :    -0.004614
 12 H s       :     0.001435  s :     0.001435
 13 H s       :     0.001435  s :     0.001435
 14 C s       :     0.013791  s :     0.013791
      pz      :     0.283004  p :     0.298242
      px      :     0.007839
      py      :     0.007399
 15 C s       :     0.013791  s :     0.013791
      pz      :     0.283004  p :     0.298242
      px      :     0.007839
      py      :     0.007399
 16 H s       :    -0.010444  s :    -0.010444
 17 H s       :    -0.010444  s :    -0.010444
 18 H s       :    -0.010790  s :    -0.010790
 19 H s       :    -0.010790  s :    -0.010790

---------------------------------
LOEWDIN BOND ORDERS (THRESH 0.05)
---------------------------------
B(  0-C ,  2-C ) :   1.2683 B(  0-C ,  5-C ) :   1.2662 B(  0-C , 11-C ) :   1.1707 
B(  1-C ,  3-C ) :   1.2683 B(  1-C ,  4-C ) :   1.2662 B(  1-C , 10-C ) :   1.1707 
B(  2-C ,  3-C ) :   0.0679 B(  2-C ,  4-C ) :   1.5615 B(  2-C ,  6-H ) :   0.9696 
B(  3-C ,  5-C ) :   1.5615 B(  3-C ,  7-H ) :   0.9696 B(  4-C ,  5-C ) :   0.0683 
B(  4-C ,  8-H ) :   0.9678 B(  5-C ,  9-H ) :   0.9678 B( 10-C , 12-H ) :   0.9671 
B( 10-C , 14-C ) :   1.7037 B( 11-C , 13-H ) :   0.9671 B( 11-C , 15-C ) :   1.7037 
B( 14-C , 16-H ) :   0.9735 B( 14-C , 18-H ) :   0.9745 B( 15-C , 17-H ) :   0.9735 
B( 15-C , 19-H ) :   0.9745 

------------------------------------------
LOEWDIN REDUCED ORBITAL POPULATIONS PER MO
-------------------------------------------
THRESHOLD FOR PRINTING IS 0.1%
SPIN UP
                      0         1         2         3         4         5   
                 -10.24953 -10.24948 -10.21565 -10.21560 -10.21410 -10.21400
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s              49.9      49.9       0.0       0.0       0.0       0.0
 1 C  s              49.9      49.9       0.0       0.0       0.0       0.0
 2 C  s               0.0       0.0       2.2       3.0      47.7      46.6
 3 C  s               0.0       0.0       2.2       3.0      47.7      46.6
 4 C  s               0.0       0.0      47.7      47.0       2.2       2.9
 5 C  s               0.0       0.0      47.7      47.0       2.2       2.9
10 C  s               0.0       0.0       0.0       0.0       0.0       0.4
11 C  s               0.0       0.0       0.0       0.0       0.0       0.4

                      6         7         8         9        10        11   
                 -10.21366 -10.21365 -10.21154 -10.21154  -1.01716  -0.95829
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.0       0.0      15.4      14.2
 0 C  px              0.0       0.0       0.0       0.0       0.9       0.4
 1 C  s               0.0       0.0       0.0       0.0      15.4      14.2
 1 C  px              0.0       0.0       0.0       0.0       0.9       0.4
 2 C  s               0.0       0.3       0.0       0.0      11.4       1.9
 2 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 2 C  py              0.0       0.0       0.0       0.0       1.6       0.7
 3 C  s               0.0       0.3       0.0       0.0      11.4       1.9
 3 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 3 C  py              0.0       0.0       0.0       0.0       1.6       0.7
 4 C  s               0.0       0.0       0.0       0.0      11.6       2.5
 4 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 4 C  py              0.0       0.0       0.0       0.0       1.6       0.7
 5 C  s               0.0       0.0       0.0       0.0      11.6       2.5
 5 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 5 C  py              0.0       0.0       0.0       0.0       1.6       0.7
 6 H  s               0.0       0.0       0.0       0.0       1.0       0.3
 7 H  s               0.0       0.0       0.0       0.0       1.0       0.3
 8 H  s               0.0       0.0       0.0       0.0       1.1       0.5
 9 H  s               0.0       0.0       0.0       0.0       1.1       0.5
10 C  s              49.5      49.1       0.5       0.5       2.9      13.5
10 C  px              0.0       0.0       0.0       0.0       0.6       0.2
10 C  py              0.0       0.0       0.0       0.0       0.0       0.5
11 C  s              49.5      49.1       0.5       0.5       2.9      13.5
11 C  px              0.0       0.0       0.0       0.0       0.6       0.2
11 C  py              0.0       0.0       0.0       0.0       0.0       0.5
12 H  s               0.0       0.0       0.0       0.0       0.3       1.8
13 H  s               0.0       0.0       0.0       0.0       0.3       1.8
14 C  s               0.5       0.5      49.5      49.5       0.7       6.6
14 C  px              0.0       0.0       0.0       0.0       0.2       0.8
14 C  py              0.0       0.0       0.0       0.0       0.1       0.7
15 C  s               0.5       0.5      49.5      49.5       0.7       6.6
15 C  px              0.0       0.0       0.0       0.0       0.2       0.8
15 C  py              0.0       0.0       0.0       0.0       0.1       0.7
16 H  s               0.0       0.0       0.0       0.0       0.1       1.0
17 H  s               0.0       0.0       0.0       0.0       0.1       1.0
18 H  s               0.0       0.0       0.0       0.0       0.1       0.7
19 H  s               0.0       0.0       0.0       0.0       0.1       0.7

                     12        13        14        15        16        17   
                  -0.91796  -0.89556  -0.87309  -0.78350  -0.75623  -0.71890
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.1       0.3       8.6       4.8       2.2       0.0
 0 C  px              3.7       0.0       1.3       2.7       0.4       5.9
 0 C  py              0.0       6.4       0.1       3.4      10.3       0.2
 1 C  s               0.1       0.3       8.6       4.8       2.2       0.0
 1 C  px              3.7       0.0       1.3       2.7       0.4       5.9
 1 C  py              0.0       6.4       0.1       3.4      10.3       0.2
 2 C  s               1.9      18.7       1.0       0.0      10.6       2.1
 2 C  px              0.5       0.9       2.2       7.0       0.6       0.0
 2 C  py              0.1       0.0       0.9       0.9       0.9       0.0
 3 C  s               1.9      18.7       1.0       0.0      10.6       2.1
 3 C  px              0.5       0.9       2.2       7.0       0.6       0.0
 3 C  py              0.1       0.0       0.9       0.9       0.9       0.0
 4 C  s               1.5      14.5       5.6       6.2       2.7       0.7
 4 C  px              0.8       1.8       0.8       0.4       8.9       1.6
 4 C  py              0.0       0.2       0.7       0.9       0.7       0.2
 5 C  s               1.5      14.5       5.6       6.2       2.7       0.7
 5 C  px              0.8       1.8       0.8       0.4       8.9       1.6
 5 C  py              0.0       0.2       0.7       0.9       0.7       0.2
 6 H  s               0.2       3.5       0.2       0.1       5.6       0.4
 7 H  s               0.2       3.5       0.2       0.1       5.6       0.4
 8 H  s               0.1       2.8       0.9       2.7       1.5       0.6
 9 H  s               0.1       2.8       0.9       2.7       1.5       0.6
10 C  s              15.0       0.0       3.5       2.3       0.0       8.4
10 C  px              0.8       0.1       4.4       4.1       1.9       0.5
10 C  py              1.3       0.3       1.3       2.6       0.2       3.5
11 C  s              15.0       0.0       3.5       2.3       0.0       8.4
11 C  px              0.8       0.1       4.4       4.1       1.9       0.5
11 C  py              1.3       0.3       1.3       2.6       0.2       3.5
12 H  s               2.2       0.0       0.6       1.3       0.2       5.6
13 H  s               2.2       0.0       0.6       1.3       0.2       5.6
14 C  s              15.3       0.3      12.8       5.8       1.5       6.3
14 C  px              0.9       0.0       0.1       0.2       0.5       1.2
14 C  py              1.2       0.0       0.6       0.3       0.0       4.1
15 C  s              15.3       0.3      12.8       5.8       1.5       6.3
15 C  px              0.9       0.0       0.1       0.2       0.5       1.2
15 C  py              1.2       0.0       0.6       0.3       0.0       4.1
16 H  s               2.3       0.1       2.0       2.3       0.1       5.3
17 H  s               2.3       0.1       2.0       2.3       0.1       5.3
18 H  s               2.2       0.0       2.5       2.0       1.0       3.4
19 H  s               2.2       0.0       2.5       2.0       1.0       3.4

                     18        19        20        21        22        23   
                  -0.69997  -0.64683  -0.63134  -0.60036  -0.59245  -0.58430
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               1.5       0.8       0.2       1.8       1.7       0.2
 0 C  px              4.5       2.9       2.3       1.6       4.3       0.0
 0 C  py              0.3       0.2       6.0       4.0       2.0       0.0
 1 C  s               1.5       0.8       0.2       1.8       1.7       0.2
 1 C  px              4.5       2.9       2.3       1.6       4.3       0.0
 1 C  py              0.3       0.2       6.0       4.0       2.0       0.0
 2 C  s               0.3       0.4       0.2       1.9       0.6       0.4
 2 C  px              0.6       4.3       7.4       0.4       1.5       0.7
 2 C  py              8.5       2.1       0.5       6.4       1.7       0.0
 3 C  s               0.3       0.4       0.2       1.9       0.6       0.4
 3 C  px              0.6       4.3       7.4       0.4       1.5       0.7
 3 C  py              8.5       2.1       0.5       6.4       1.7       0.0
 4 C  s               2.6       0.1       1.0       1.8       0.3       0.4
 4 C  px              0.0       2.2       4.0       5.2       0.0       2.3
 4 C  py              9.0       2.1       1.2       0.1      13.4       0.5
 5 C  s               2.6       0.1       1.0       1.8       0.3       0.4
 5 C  px              0.0       2.2       4.0       5.2       0.0       2.3
 5 C  py              9.0       2.1       1.2       0.1      13.4       0.5
 6 H  s               2.4       2.8       0.7       5.0       3.1       0.0
 7 H  s               2.4       2.8       0.7       5.0       3.1       0.0
 8 H  s               5.3       1.5       0.3       3.0       8.6       1.7
 9 H  s               5.3       1.5       0.3       3.0       8.6       1.7
10 C  s               2.8       1.8       0.1       0.0       0.0       0.2
10 C  px              0.0       7.0       3.1       6.7       1.7       0.0
10 C  py              1.0       1.3       6.5       0.2       0.0      11.1
11 C  s               2.8       1.8       0.1       0.0       0.0       0.2
11 C  px              0.0       7.0       3.1       6.7       1.7       0.0
11 C  py              1.0       1.3       6.5       0.2       0.0      11.1
12 H  s               2.3       4.0       3.3       0.5       0.0       3.5
13 H  s               2.3       4.0       3.3       0.5       0.0       3.5
14 C  s               2.7       0.6       0.2       0.3       0.0       0.1
14 C  px              1.0       0.1       7.8       0.1       2.1      18.7
14 C  py              1.7       9.7       0.4       7.2       4.1       0.4
15 C  s               2.7       0.6       0.2       0.3       0.0       0.1
15 C  px              1.0       0.1       7.8       0.1       2.1      18.7
15 C  py              1.7       9.7       0.4       7.2       4.1       0.4
16 H  s               1.7       6.0       0.4       3.4       3.3       0.0
17 H  s               1.7       6.0       0.4       3.4       3.3       0.0
18 H  s               1.9       0.0       4.3       0.2       1.5       9.8
19 H  s               1.9       0.0       4.3       0.2       1.5       9.8

                     24        25        26        27        28        29   
                  -0.56519  -0.54870  -0.53351  -0.53000  -0.49743  -0.48966
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.4       0.0       0.2       0.1
 0 C  pz              0.0       0.0       0.0      18.9       0.0       0.0
 0 C  px              1.0       2.6       0.3       0.0       6.2       5.3
 0 C  py              1.8       3.3       0.9       0.0       0.2       5.4
 1 C  s               0.0       0.0       0.4       0.0       0.2       0.1
 1 C  pz              0.0       0.0       0.0      18.9       0.0       0.0
 1 C  px              1.0       2.6       0.3       0.0       6.2       5.3
 1 C  py              1.8       3.3       0.9       0.0       0.2       5.4
 2 C  s               0.2       0.1       0.1       0.0       0.0       0.0
 2 C  pz              0.0       0.0       0.0      12.7       0.0       0.0
 2 C  px              4.3       6.1       4.9       0.0       0.4       5.3
 2 C  py             14.3       0.8       1.7       0.0       0.3       5.3
 3 C  s               0.2       0.1       0.1       0.0       0.0       0.0
 3 C  pz              0.0       0.0       0.0      12.7       0.0       0.0
 3 C  px              4.3       6.1       4.9       0.0       0.4       5.3
 3 C  py             14.3       0.8       1.7       0.0       0.3       5.3
 4 C  s               0.1       0.0       0.0       0.0       0.1       0.0
 4 C  pz              0.0       0.0       0.0      12.8       0.0       0.0
 4 C  px              3.6       6.1       4.1       0.0       0.1       4.5
 4 C  py              7.4       0.0       0.2       0.0       1.8       3.9
 5 C  s               0.1       0.0       0.0       0.0       0.1       0.0
 5 C  pz              0.0       0.0       0.0      12.8       0.0       0.0
 5 C  px              3.6       6.1       4.1       0.0       0.1       4.5
 5 C  py              7.4       0.0       0.2       0.0       1.8       3.9
 6 H  s               9.0       0.3       3.9       0.0       0.2       0.7
 7 H  s               9.0       0.3       3.9       0.0       0.2       0.7
 8 H  s               5.2       0.7       0.0       0.0       0.2       8.1
 9 H  s               5.2       0.7       0.0       0.0       0.2       8.1
10 C  s               0.0       0.0       0.7       0.0       0.1       0.2
10 C  pz              0.0       0.0       0.0       4.3       0.0       0.0
10 C  px              1.0       2.2       0.9       0.0       4.1       5.7
10 C  py              0.1       7.9       6.0       0.0       5.8       0.0
11 C  s               0.0       0.0       0.7       0.0       0.1       0.2
11 C  pz              0.0       0.0       0.0       4.3       0.0       0.0
11 C  px              1.0       2.2       0.9       0.0       4.1       5.7
11 C  py              0.1       7.9       6.0       0.0       5.8       0.0
12 H  s               0.0       2.8       4.1       0.0       8.4       0.3
13 H  s               0.0       2.8       4.1       0.0       8.4       0.3
14 C  pz              0.0       0.0       0.0       1.3       0.0       0.0
14 C  px              0.1       9.8       1.3       0.0       4.6       2.7
14 C  py              1.3       2.4      10.9       0.0       5.5       0.1
15 C  pz              0.0       0.0       0.0       1.3       0.0       0.0
15 C  px              0.1       9.8       1.3       0.0       4.6       2.7
15 C  py              1.3       2.4      10.9       0.0       5.5       0.1
16 H  s               0.4       0.2       7.6       0.0       6.7       0.3
17 H  s               0.4       0.2       7.6       0.0       6.7       0.3
18 H  s               0.1       4.6       1.7       0.0       5.2       2.0
19 H  s               0.1       4.6       1.7       0.0       5.2       2.0

                     30        31        32        33        34        35   
                  -0.47906  -0.46999  -0.41419  -0.39063  -0.36603  -0.17380
                   1.00000   1.00000   1.00000   1.00000   1.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.2       0.0       0.0       0.0       0.0       0.0
 0 C  pz              0.0      19.0       0.1       0.0      15.0      16.7
 0 C  px              3.5       0.0       0.0       0.0       0.0       0.0
 0 C  py              5.9       0.0       0.0       0.0       0.0       0.0
 1 C  s               0.2       0.0       0.0       0.0       0.0       0.0
 1 C  pz              0.0      19.0       0.1       0.0      15.0      16.7
 1 C  px              3.5       0.0       0.0       0.0       0.0       0.0
 1 C  py              5.9       0.0       0.0       0.0       0.0       0.0
 2 C  pz              0.0       2.5       3.5      25.0       4.3       5.7
 2 C  px              1.7       0.0       0.0       0.0       0.0       0.0
 2 C  py              4.2       0.0       0.0       0.0       0.0       0.0
 3 C  pz              0.0       2.5       3.5      25.0       4.3       5.7
 3 C  px              1.7       0.0       0.0       0.0       0.0       0.0
 3 C  py              4.2       0.0       0.0       0.0       0.0       0.0
 4 C  pz              0.0       2.7       3.5      25.0       4.5       7.6
 4 C  px              2.5       0.0       0.0       0.0       0.0       0.0
 4 C  py              6.2       0.0       0.0       0.0       0.0       0.0
 5 C  pz              0.0       2.7       3.5      25.0       4.5       7.6
 5 C  px              2.5       0.0       0.0       0.0       0.0       0.0
 5 C  py              6.2       0.0       0.0       0.0       0.0       0.0
 6 H  s               6.5       0.0       0.0       0.0       0.0       0.0
 7 H  s               6.5       0.0       0.0       0.0       0.0       0.0
 8 H  s               1.4       0.0       0.0       0.0       0.0       0.0
 9 H  s               1.4       0.0       0.0       0.0       0.0       0.0
10 C  pz              0.0      16.5      18.9       0.0       5.8       5.5
10 C  px              3.4       0.0       0.0       0.0       0.0       0.0
10 C  py              2.5       0.0       0.0       0.0       0.0       0.0
11 C  pz              0.0      16.5      18.9       0.0       5.8       5.5
11 C  px              3.4       0.0       0.0       0.0       0.0       0.0
11 C  py              2.5       0.0       0.0       0.0       0.0       0.0
12 H  s               4.8       0.0       0.0       0.0       0.0       0.0
13 H  s               4.8       0.0       0.0       0.0       0.0       0.0
14 C  pz              0.0       9.3      24.0       0.0      20.4      14.5
14 C  px              1.3       0.0       0.0       0.0       0.0       0.0
14 C  py              1.9       0.0       0.0       0.0       0.0       0.0
15 C  pz              0.0       9.3      24.0       0.0      20.4      14.5
15 C  px              1.3       0.0       0.0       0.0       0.0       0.0
15 C  py              1.9       0.0       0.0       0.0       0.0       0.0
16 H  s               2.3       0.0       0.0       0.0       0.0       0.0
17 H  s               2.3       0.0       0.0       0.0       0.0       0.0
18 H  s               1.8       0.0       0.0       0.0       0.0       0.0
19 H  s               1.8       0.0       0.0       0.0       0.0       0.0

                     36        37        38        39        40        41   
                  -0.10775  -0.09068  -0.02599   0.06366   0.14332   0.15256
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.0       0.0       6.1       2.0
 0 C  pz              0.1       0.0      14.2      16.0       0.0       0.0
 0 C  px              0.0       0.0       0.0       0.0       3.9       3.3
 0 C  py              0.0       0.0       0.0       0.0       0.1       3.0
 1 C  s               0.0       0.0       0.0       0.0       6.1       2.0
 1 C  pz              0.1       0.0      14.2      16.0       0.0       0.0
 1 C  px              0.0       0.0       0.0       0.0       3.9       3.3
 1 C  py              0.0       0.0       0.0       0.0       0.1       3.0
 2 C  s               0.0       0.0       0.0       0.0       0.5       0.2
 2 C  pz             26.4       4.6       1.8      13.7       0.0       0.0
 2 C  px              0.0       0.0       0.0       0.0       0.2       0.4
 2 C  py              0.0       0.0       0.0       0.0       3.2       4.4
 3 C  s               0.0       0.0       0.0       0.0       0.5       0.2
 3 C  pz             26.4       4.6       1.8      13.7       0.0       0.0
 3 C  px              0.0       0.0       0.0       0.0       0.2       0.4
 3 C  py              0.0       0.0       0.0       0.0       3.2       4.4
 4 C  s               0.0       0.0       0.0       0.0       1.6       0.3
 4 C  pz             23.5       4.2       2.5      13.7       0.0       0.0
 4 C  px              0.0       0.0       0.0       0.0       0.1       0.6
 4 C  py              0.0       0.0       0.0       0.0       1.8       2.8
 5 C  s               0.0       0.0       0.0       0.0       1.6       0.3
 5 C  pz             23.5       4.2       2.5      13.7       0.0       0.0
 5 C  px              0.0       0.0       0.0       0.0       0.1       0.6
 5 C  py              0.0       0.0       0.0       0.0       1.8       2.8
 6 H  s               0.0       0.0       0.0       0.0       5.8       3.8
 7 H  s               0.0       0.0       0.0       0.0       5.8       3.8
 8 H  s               0.0       0.0       0.0       0.0       6.0       2.1
 9 H  s               0.0       0.0       0.0       0.0       6.0       2.1
10 C  s               0.0       0.0       0.0       0.0       2.7       0.3
10 C  pz              0.0      22.5      21.3       5.2       0.0       0.0
10 C  px              0.0       0.0       0.0       0.0       7.6       5.0
10 C  py              0.0       0.0       0.0       0.0       1.4       3.3
11 C  s               0.0       0.0       0.0       0.0       2.7       0.3
11 C  pz              0.0      22.5      21.3       5.2       0.0       0.0
11 C  px              0.0       0.0       0.0       0.0       7.6       5.0
11 C  py              0.0       0.0       0.0       0.0       1.4       3.3
12 H  s               0.0       0.0       0.0       0.0       0.8       5.5
13 H  s               0.0       0.0       0.0       0.0       0.8       5.5
14 C  s               0.0       0.0       0.0       0.0       1.0       0.1
14 C  pz              0.0      18.8      10.2       1.5       0.0       0.0
14 C  px              0.0       0.0       0.0       0.0       1.0       1.5
14 C  py              0.0       0.0       0.0       0.0       0.6       3.4
15 C  s               0.0       0.0       0.0       0.0       1.0       0.1
15 C  pz              0.0      18.8      10.2       1.5       0.0       0.0
15 C  px              0.0       0.0       0.0       0.0       1.0       1.5
15 C  py              0.0       0.0       0.0       0.0       0.6       3.4
16 H  s               0.0       0.0       0.0       0.0       0.8       4.4
17 H  s               0.0       0.0       0.0       0.0       0.8       4.4
18 H  s               0.0       0.0       0.0       0.0       4.9       3.9
19 H  s               0.0       0.0       0.0       0.0       4.9       3.9

                     42        43        44        45        46        47   
                   0.18290   0.19999   0.21830   0.22398   0.24334   0.24419
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.5       1.1       3.9       4.8      10.1       0.3
 0 C  px              7.0       0.2       0.2       0.5       0.9       1.5
 0 C  py              2.8       0.6       3.9       0.6       0.1       0.2
 1 C  s               2.5       1.1       3.9       4.8      10.1       0.3
 1 C  px              7.0       0.2       0.2       0.5       0.9       1.5
 1 C  py              2.8       0.6       3.9       0.6       0.1       0.2
 2 C  s               0.4       4.9       3.5       4.3       8.5       1.6
 2 C  px              2.3       0.8       1.6       0.5       1.6       4.4
 2 C  py              2.4       0.1       0.0       0.5       0.2       1.6
 3 C  s               0.4       4.9       3.5       4.3       8.5       1.6
 3 C  px              2.3       0.8       1.6       0.5       1.6       4.4
 3 C  py              2.4       0.1       0.0       0.5       0.2       1.6
 4 C  s               0.1       0.8      12.3       8.2       1.2       0.2
 4 C  px              2.3       1.6       0.0       2.2       2.6       0.6
 4 C  py              4.7       1.5       0.5       0.0       1.9       1.9
 5 C  s               0.1       0.8      12.3       8.2       1.2       0.2
 5 C  px              2.3       1.6       0.0       2.2       2.6       0.6
 5 C  py              4.7       1.5       0.5       0.0       1.9       1.9
 6 H  s               1.1       3.6       0.7       6.0       3.8       9.3
 7 H  s               1.1       3.6       0.7       6.0       3.8       9.3
 8 H  s               6.5       4.2       2.2       5.7       0.2       0.6
 9 H  s               6.5       4.2       2.2       5.7       0.2       0.6
10 C  s               7.8       2.3       1.2       0.3       4.3       4.2
10 C  px              4.6       0.5       1.3       0.2       0.0       0.0
10 C  py              0.2       3.2       1.6       0.8       0.5       2.5
11 C  s               7.8       2.3       1.2       0.3       4.3       4.2
11 C  px              4.6       0.5       1.3       0.2       0.0       0.0
11 C  py              0.2       3.2       1.6       0.8       0.5       2.5
12 H  s               2.4      10.2       2.4       0.6       4.1       7.3
13 H  s               2.4      10.2       2.4       0.6       4.1       7.3
14 C  s               0.7       0.3       6.1       5.2       4.1       2.0
14 C  px              0.3       2.5       0.0       0.1       0.1       4.2
14 C  py              0.0       3.1       1.0       1.8       0.5       0.0
15 C  s               0.7       0.3       6.1       5.2       4.1       2.0
15 C  px              0.3       2.5       0.0       0.1       0.1       4.2
15 C  py              0.0       3.1       1.0       1.8       0.5       0.0
16 H  s               0.0       6.4       5.2       5.5       4.3       0.0
17 H  s               0.0       6.4       5.2       5.5       4.3       0.0
18 H  s               1.8       2.1       2.2       2.3       0.9       7.7
19 H  s               1.8       2.1       2.2       2.3       0.9       7.7

                     48        49        50        51        52        53   
                   0.26671   0.28899   0.32347   0.34794   0.38366   0.40151
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.2       0.5       2.1       0.0       0.0       4.2
 0 C  px              0.3       0.0      13.2       0.0       0.0       0.1
 0 C  py              1.7       3.2       0.0       9.6       0.8       0.9
 1 C  s               2.2       0.5       2.1       0.0       0.0       4.2
 1 C  px              0.3       0.0      13.2       0.0       0.0       0.1
 1 C  py              1.7       3.2       0.0       9.6       0.8       0.9
 2 C  s               2.5       6.4       0.0       8.7       0.1       2.0
 2 C  px              0.6       0.8       0.0       0.7       2.0      13.4
 2 C  py              1.3       0.5       7.1       0.0       8.8       3.7
 3 C  s               2.5       6.4       0.0       8.7       0.1       2.0
 3 C  px              0.6       0.8       0.0       0.7       2.0      13.4
 3 C  py              1.3       0.5       7.1       0.0       8.8       3.7
 4 C  s               1.8       6.6       1.1       2.2       0.1       6.8
 4 C  px              0.2       1.0       0.0       7.7       2.4       7.4
 4 C  py              1.0       0.0       4.1       0.2      10.4       2.9
 5 C  s               1.8       6.6       1.1       2.2       0.1       6.8
 5 C  px              0.2       1.0       0.0       7.7       2.4       7.4
 5 C  py              1.0       0.0       4.1       0.2      10.4       2.9
 6 H  s               0.1       0.3       3.2       3.6       7.9       0.4
 7 H  s               0.1       0.3       3.2       3.6       7.9       0.4
 8 H  s               5.4       2.3       0.8       2.2       9.5       1.9
 9 H  s               5.4       2.3       0.8       2.2       9.5       1.9
10 C  s               3.8       0.9       7.6       0.6       1.8       2.6
10 C  px              0.6       0.1       0.0       0.0       0.6       0.0
10 C  py              0.1       0.1       0.6       1.9       0.7       0.1
11 C  s               3.8       0.9       7.6       0.6       1.8       2.6
11 C  px              0.6       0.1       0.0       0.0       0.6       0.0
11 C  py              0.1       0.1       0.6       1.9       0.7       0.1
12 H  s               3.2       0.3       3.5       0.6       0.1       1.2
13 H  s               3.2       0.3       3.5       0.6       0.1       1.2
14 C  s              10.7       5.8       0.5       0.0       1.5       0.0
14 C  px              0.1       5.2       0.6       6.8       2.0       0.2
14 C  py              1.1       1.4       2.8       0.3       0.3       1.3
15 C  s              10.7       5.8       0.5       0.0       1.5       0.0
15 C  px              0.1       5.2       0.6       6.8       2.0       0.2
15 C  py              1.1       1.4       2.8       0.3       0.3       1.3
16 H  s              10.9       3.7       1.1       0.0       0.7       0.9
17 H  s              10.9       3.7       1.1       0.0       0.7       0.9
18 H  s               2.4      10.9       1.8       4.8       0.2       0.1
19 H  s               2.4      10.9       1.8       4.8       0.2       0.1

                     54        55        56        57        58        59   
                   0.42909   0.44182   0.48138   0.50966   0.57128   0.58545
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               5.4       0.1       0.3       0.4       0.0       1.2
 0 C  px              0.0       2.7       4.4       0.1       0.1      11.7
 0 C  py              1.1       0.2       1.0       5.9      13.5       0.1
 1 C  s               5.4       0.1       0.3       0.4       0.0       1.2
 1 C  px              0.0       2.7       4.4       0.1       0.1      11.7
 1 C  py              1.1       0.2       1.0       5.9      13.5       0.1
 2 C  s               0.0       0.6       0.3       1.9       0.0       1.7
 2 C  px              0.0       6.5       3.4       0.2       7.2       2.9
 2 C  py              1.7       0.8       1.0       1.3       3.1       7.3
 3 C  s               0.0       0.6       0.3       1.9       0.0       1.7
 3 C  px              0.0       6.5       3.4       0.2       7.2       2.9
 3 C  py              1.7       0.8       1.0       1.3       3.1       7.3
 4 C  s               1.1       1.0       0.2       0.6       0.0       2.2
 4 C  px              0.6       4.4       5.1       1.3       6.9       2.5
 4 C  py              2.6       0.3       0.4       0.0       3.9       8.3
 5 C  s               1.1       1.0       0.2       0.6       0.0       2.2
 5 C  px              0.6       4.4       5.1       1.3       6.9       2.5
 5 C  py              2.6       0.3       0.4       0.0       3.9       8.3
 6 H  s               0.6       1.5       0.1       0.0       0.0       2.5
 7 H  s               0.6       1.5       0.1       0.0       0.0       2.5
 8 H  s               0.0       0.0       1.4       0.3       0.1       2.6
 9 H  s               0.0       0.0       1.4       0.3       0.1       2.6
10 C  s               1.3       1.1       1.6       3.2       0.6       0.1
10 C  px              8.2       1.5      12.8       3.1       1.5       4.2
10 C  py              1.9       8.9       0.7      13.2       6.1       0.0
11 C  s               1.3       1.1       1.6       3.2       0.6       0.1
11 C  px              8.2       1.5      12.8       3.1       1.5       4.2
11 C  py              1.9       8.9       0.7      13.2       6.1       0.0
12 H  s               4.7       3.7       0.9       1.3       0.9       0.1
13 H  s               4.7       3.7       0.9       1.3       0.9       0.1
14 C  s               0.3       0.8       1.8       4.2       1.5       0.1
14 C  px              3.6       9.9       0.0       6.4       2.0       0.0
14 C  py              8.0       0.1      11.3       6.0       2.4       1.6
15 C  s               0.3       0.8       1.8       4.2       1.5       0.1
15 C  px              3.6       9.9       0.0       6.4       2.0       0.0
15 C  py              8.0       0.1      11.3       6.0       2.4       1.6
16 H  s               4.8       2.0       3.0       0.0       0.1       0.7
17 H  s               4.8       2.0       3.0       0.0       0.1       0.7
18 H  s               4.1       4.0       0.5       0.5       0.1       0.1
19 H  s               4.1       4.0       0.5       0.5       0.1       0.1


SPIN DOWN
                      0         1         2         3         4         5   
                 -10.24650 -10.24645 -10.21531 -10.21527 -10.21448 -10.21448
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s              49.9      49.9       0.0       0.0       0.0       0.0
 1 C  s              49.9      49.9       0.0       0.0       0.0       0.0
 2 C  s               0.0       0.0       2.6       3.5       0.1       0.0
 3 C  s               0.0       0.0       2.6       3.5       0.1       0.0
 4 C  s               0.0       0.0      47.4      46.4       0.0       0.0
 5 C  s               0.0       0.0      47.4      46.4       0.0       0.0
10 C  s               0.0       0.0       0.0       0.0      49.8      49.9
11 C  s               0.0       0.0       0.0       0.0      49.8      49.9

                      6         7         8         9        10        11   
                 -10.21391 -10.21381 -10.20705 -10.20705  -1.01106  -0.95078
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.0       0.0      14.9      13.9
 0 C  px              0.0       0.0       0.0       0.0       0.9       0.5
 1 C  s               0.0       0.0       0.0       0.0      14.9      13.9
 1 C  px              0.0       0.0       0.0       0.0       0.9       0.5
 2 C  s              47.3      46.3       0.0       0.0      11.7       1.9
 2 C  px              0.0       0.0       0.0       0.0       0.3       1.4
 2 C  py              0.0       0.0       0.0       0.0       1.5       0.7
 3 C  s              47.3      46.3       0.0       0.0      11.7       1.9
 3 C  px              0.0       0.0       0.0       0.0       0.3       1.4
 3 C  py              0.0       0.0       0.0       0.0       1.5       0.7
 4 C  s               2.6       3.5       0.0       0.0      11.8       2.4
 4 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 4 C  py              0.0       0.0       0.0       0.0       1.5       0.7
 5 C  s               2.6       3.5       0.0       0.0      11.8       2.4
 5 C  px              0.0       0.0       0.0       0.0       0.2       1.4
 5 C  py              0.0       0.0       0.0       0.0       1.5       0.7
 6 H  s               0.0       0.0       0.0       0.0       1.1       0.3
 7 H  s               0.0       0.0       0.0       0.0       1.1       0.3
 8 H  s               0.0       0.0       0.0       0.0       1.1       0.5
 9 H  s               0.0       0.0       0.0       0.0       1.1       0.5
10 C  s               0.0       0.1       0.0       0.0       2.9      14.2
10 C  px              0.0       0.0       0.0       0.0       0.6       0.3
10 C  py              0.0       0.0       0.0       0.0       0.0       0.4
11 C  s               0.0       0.1       0.0       0.0       2.9      14.2
11 C  px              0.0       0.0       0.0       0.0       0.6       0.3
11 C  py              0.0       0.0       0.0       0.0       0.0       0.4
12 H  s               0.0       0.0       0.0       0.0       0.3       1.9
13 H  s               0.0       0.0       0.0       0.0       0.3       1.9
14 C  s               0.0       0.0      49.9      49.9       0.6       6.2
14 C  px              0.0       0.0       0.0       0.0       0.2       0.8
14 C  py              0.0       0.0       0.0       0.0       0.1       0.8
15 C  s               0.0       0.0      49.9      49.9       0.6       6.2
15 C  px              0.0       0.0       0.0       0.0       0.2       0.8
15 C  py              0.0       0.0       0.0       0.0       0.1       0.8
16 H  s               0.0       0.0       0.0       0.0       0.1       0.9
17 H  s               0.0       0.0       0.0       0.0       0.1       0.9
18 H  s               0.0       0.0       0.0       0.0       0.0       0.7
19 H  s               0.0       0.0       0.0       0.0       0.0       0.7

                     12        13        14        15        16        17   
                  -0.91003  -0.89392  -0.86082  -0.77818  -0.75215  -0.71497
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.1       0.1       8.5       4.3       2.7       0.0
 0 C  px              4.1       0.0       1.5       2.2       0.5       5.6
 0 C  py              0.0       6.3       0.0       4.1       9.3       0.3
 1 C  s               0.1       0.1       8.5       4.3       2.7       0.0
 1 C  px              4.1       0.0       1.5       2.2       0.5       5.6
 1 C  py              0.0       6.3       0.0       4.1       9.3       0.3
 2 C  s               2.0      18.3       1.6       0.1      10.2       2.1
 2 C  px              0.6       1.1       2.1       7.0       0.4       0.0
 2 C  py              0.0       0.0       0.9       0.8       1.1       0.0
 3 C  s               2.0      18.3       1.6       0.1      10.2       2.1
 3 C  px              0.6       1.1       2.1       7.0       0.4       0.0
 3 C  py              0.0       0.0       0.9       0.8       1.1       0.0
 4 C  s               1.6      15.4       4.8       6.4       2.3       0.7
 4 C  px              0.9       1.7       1.0       0.2       9.0       1.7
 4 C  py              0.0       0.1       0.7       0.9       0.9       0.2
 5 C  s               1.6      15.4       4.8       6.4       2.3       0.7
 5 C  px              0.9       1.7       1.0       0.2       9.0       1.7
 5 C  py              0.0       0.1       0.7       0.9       0.9       0.2
 6 H  s               0.2       3.4       0.3       0.2       5.6       0.4
 7 H  s               0.2       3.4       0.3       0.2       5.6       0.4
 8 H  s               0.1       3.0       0.8       3.0       1.3       0.6
 9 H  s               0.1       3.0       0.8       3.0       1.3       0.6
10 C  s              16.0       0.0       3.9       1.8       0.0       7.7
10 C  px              0.6       0.1       4.5       3.9       2.4       0.5
10 C  py              1.1       0.2       1.2       2.8       0.1       3.8
11 C  s              16.0       0.0       3.9       1.8       0.0       7.7
11 C  px              0.6       0.1       4.5       3.9       2.4       0.5
11 C  py              1.1       0.2       1.2       2.8       0.1       3.8
12 H  s               2.4       0.0       0.7       1.2       0.2       5.5
13 H  s               2.4       0.0       0.7       1.2       0.2       5.5
14 C  s              13.8       0.2      12.3       6.0       1.9       6.7
14 C  px              0.9       0.0       0.1       0.1       0.5       1.0
14 C  py              1.3       0.0       0.6       0.3       0.0       3.8
15 C  s              13.8       0.2      12.3       6.0       1.9       6.7
15 C  px              0.9       0.0       0.1       0.1       0.5       1.0
15 C  py              1.3       0.0       0.6       0.3       0.0       3.8
16 H  s               2.1       0.1       2.0       2.4       0.2       5.7
17 H  s               2.1       0.1       2.0       2.4       0.2       5.7
18 H  s               2.0       0.0       2.5       2.0       1.2       3.6
19 H  s               2.0       0.0       2.5       2.0       1.2       3.6

                     18        19        20        21        22        23   
                  -0.69681  -0.64461  -0.62925  -0.59762  -0.58959  -0.58138
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               1.4       0.8       0.2       2.0       1.6       0.2
 0 C  px              4.6       2.7       2.3       1.2       4.6       0.0
 0 C  py              0.3       0.2       5.8       4.0       2.2       0.0
 1 C  s               1.4       0.8       0.2       2.0       1.6       0.2
 1 C  px              4.6       2.7       2.3       1.2       4.6       0.0
 1 C  py              0.3       0.2       5.8       4.0       2.2       0.0
 2 C  s               0.3       0.4       0.2       1.8       0.5       0.4
 2 C  px              0.5       4.4       7.4       0.5       1.4       0.8
 2 C  py              8.6       2.0       0.4       6.8       1.4       0.0
 3 C  s               0.3       0.4       0.2       1.8       0.5       0.4
 3 C  px              0.5       4.4       7.4       0.5       1.4       0.8
 3 C  py              8.6       2.0       0.4       6.8       1.4       0.0
 4 C  s               2.6       0.1       1.1       1.8       0.2       0.4
 4 C  px              0.0       2.3       3.9       5.3       0.0       2.4
 4 C  py              9.3       1.9       1.2       0.2      13.6       0.5
 5 C  s               2.6       0.1       1.1       1.8       0.2       0.4
 5 C  px              0.0       2.3       3.9       5.3       0.0       2.4
 5 C  py              9.3       1.9       1.2       0.2      13.6       0.5
 6 H  s               2.4       2.8       0.8       5.3       2.6       0.0
 7 H  s               2.4       2.8       0.8       5.3       2.6       0.0
 8 H  s               5.4       1.4       0.3       3.5       8.2       1.7
 9 H  s               5.4       1.4       0.3       3.5       8.2       1.7
10 C  s               2.5       1.9       0.1       0.1       0.0       0.2
10 C  px              0.0       6.9       3.3       6.3       2.0       0.0
10 C  py              1.0       1.6       6.5       0.1       0.1      11.3
11 C  s               2.5       1.9       0.1       0.1       0.0       0.2
11 C  px              0.0       6.9       3.3       6.3       2.0       0.0
11 C  py              1.0       1.6       6.5       0.1       0.1      11.3
12 H  s               2.1       4.3       3.4       0.5       0.0       3.6
13 H  s               2.1       4.3       3.4       0.5       0.0       3.6
14 C  s               2.9       0.7       0.3       0.4       0.0       0.1
14 C  px              0.9       0.1       7.6       0.2       2.0      18.1
14 C  py              1.5       9.4       0.4       6.6       4.5       0.5
15 C  s               2.9       0.7       0.3       0.4       0.0       0.1
15 C  px              0.9       0.1       7.6       0.2       2.0      18.1
15 C  py              1.5       9.4       0.4       6.6       4.5       0.5
16 H  s               1.8       6.1       0.4       3.2       3.6       0.0
17 H  s               1.8       6.1       0.4       3.2       3.6       0.0
18 H  s               2.0       0.0       4.3       0.3       1.4       9.8
19 H  s               2.0       0.0       4.3       0.3       1.4       9.8

                     24        25        26        27        28        29   
                  -0.56448  -0.54573  -0.53154  -0.51362  -0.49580  -0.48814
                   1.00000   1.00000   1.00000   1.00000   1.00000   1.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.4       0.0       0.2       0.1
 0 C  pz              0.0       0.0       0.0      17.1       0.0       0.0
 0 C  px              0.9       2.6       0.4       0.0       6.1       5.9
 0 C  py              1.5       3.6       1.0       0.0       0.2       4.6
 1 C  s               0.0       0.0       0.4       0.0       0.2       0.1
 1 C  pz              0.0       0.0       0.0      17.1       0.0       0.0
 1 C  px              0.9       2.6       0.4       0.0       6.1       5.9
 1 C  py              1.5       3.6       1.0       0.0       0.2       4.6
 2 C  s               0.2       0.2       0.1       0.0       0.0       0.0
 2 C  pz              0.0       0.0       0.0      13.5       0.0       0.0
 2 C  px              4.8       5.5       5.0       0.0       0.4       5.7
 2 C  py             14.1       1.1       1.7       0.0       0.2       4.7
 3 C  s               0.2       0.2       0.1       0.0       0.0       0.0
 3 C  pz              0.0       0.0       0.0      13.5       0.0       0.0
 3 C  px              4.8       5.5       5.0       0.0       0.4       5.7
 3 C  py             14.1       1.1       1.7       0.0       0.2       4.7
 4 C  s               0.1       0.0       0.0       0.0       0.1       0.0
 4 C  pz              0.0       0.0       0.0      13.5       0.0       0.0
 4 C  px              4.1       5.5       4.2       0.0       0.1       4.7
 4 C  py              7.2       0.0       0.3       0.0       1.9       3.2
 5 C  s               0.1       0.0       0.0       0.0       0.1       0.0
 5 C  pz              0.0       0.0       0.0      13.5       0.0       0.0
 5 C  px              4.1       5.5       4.2       0.0       0.1       4.7
 5 C  py              7.2       0.0       0.3       0.0       1.9       3.2
 6 H  s               9.2       0.1       3.9       0.0       0.2       0.4
 7 H  s               9.2       0.1       3.9       0.0       0.2       0.4
 8 H  s               5.3       0.5       0.0       0.0       0.2       7.4
 9 H  s               5.3       0.5       0.0       0.0       0.2       7.4
10 C  s               0.0       0.0       0.6       0.0       0.0       0.2
10 C  pz              0.0       0.0       0.0       4.8       0.0       0.0
10 C  px              0.9       2.4       1.0       0.0       4.1       6.4
10 C  py              0.0       8.2       5.8       0.0       5.6       0.0
11 C  s               0.0       0.0       0.6       0.0       0.0       0.2
11 C  pz              0.0       0.0       0.0       4.8       0.0       0.0
11 C  px              0.9       2.4       1.0       0.0       4.1       6.4
11 C  py              0.0       8.2       5.8       0.0       5.6       0.0
12 H  s               0.0       2.8       3.8       0.0       8.1       0.5
13 H  s               0.0       2.8       3.8       0.0       8.1       0.5
14 C  pz              0.0       0.0       0.0       1.1       0.0       0.0
14 C  px              0.0       9.7       1.3       0.0       4.8       3.1
14 C  py              1.2       2.7      11.0       0.0       5.5       0.1
15 C  pz              0.0       0.0       0.0       1.1       0.0       0.0
15 C  px              0.0       9.7       1.3       0.0       4.8       3.1
15 C  py              1.2       2.7      11.0       0.0       5.5       0.1
16 H  s               0.4       0.2       7.8       0.0       6.9       0.5
17 H  s               0.4       0.2       7.8       0.0       6.9       0.5
18 H  s               0.0       4.7       1.8       0.0       5.5       2.5
19 H  s               0.0       4.7       1.8       0.0       5.5       2.5

                     30        31        32        33        34        35   
                  -0.47748  -0.44701  -0.38749  -0.38495  -0.29669  -0.14325
                   1.00000   1.00000   1.00000   1.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.1       0.0       0.0       0.0       0.0       0.0
 0 C  pz              0.0      17.3       0.0       0.0      15.2      17.5
 0 C  px              2.8       0.0       0.0       0.0       0.0       0.0
 0 C  py              6.7       0.0       0.0       0.0       0.0       0.0
 1 C  s               0.1       0.0       0.0       0.0       0.0       0.0
 1 C  pz              0.0      17.3       0.0       0.0      15.2      17.5
 1 C  px              2.8       0.0       0.0       0.0       0.0       0.0
 1 C  py              6.7       0.0       0.0       0.0       0.0       0.0
 2 C  pz              0.0       2.3      25.2       4.5       5.3       3.8
 2 C  px              1.2       0.0       0.0       0.0       0.0       0.0
 2 C  py              4.9       0.0       0.0       0.0       0.0       0.0
 3 C  pz              0.0       2.3      25.2       4.5       5.3       3.8
 3 C  px              1.2       0.0       0.0       0.0       0.0       0.0
 3 C  py              4.9       0.0       0.0       0.0       0.0       0.0
 4 C  pz              0.0       2.4      24.8       4.4       5.8       6.5
 4 C  px              2.0       0.0       0.0       0.0       0.0       0.0
 4 C  py              7.0       0.0       0.0       0.0       0.0       0.0
 5 C  pz              0.0       2.4      24.8       4.4       5.8       6.5
 5 C  px              2.0       0.0       0.0       0.0       0.0       0.0
 5 C  py              7.0       0.0       0.0       0.0       0.0       0.0
 6 H  s               6.7       0.0       0.0       0.0       0.0       0.0
 7 H  s               6.7       0.0       0.0       0.0       0.0       0.0
 8 H  s               1.9       0.0       0.0       0.0       0.0       0.0
 9 H  s               1.9       0.0       0.0       0.0       0.0       0.0
10 C  pz              0.0      20.0       0.0      23.5       7.0       3.1
10 C  px              2.7       0.0       0.0       0.0       0.0       0.0
10 C  py              2.5       0.0       0.0       0.0       0.0       0.0
11 C  pz              0.0      20.0       0.0      23.5       7.0       3.1
11 C  px              2.7       0.0       0.0       0.0       0.0       0.0
11 C  py              2.5       0.0       0.0       0.0       0.0       0.0
12 H  s               4.5       0.0       0.0       0.0       0.0       0.0
13 H  s               4.5       0.0       0.0       0.0       0.0       0.0
14 C  pz              0.0       8.0       0.0      17.7      16.7      19.2
14 C  px              1.1       0.0       0.0       0.0       0.0       0.0
14 C  py              2.0       0.0       0.0       0.0       0.0       0.0
15 C  pz              0.0       8.0       0.0      17.7      16.7      19.2
15 C  px              1.1       0.0       0.0       0.0       0.0       0.0
15 C  py              2.0       0.0       0.0       0.0       0.0       0.0
16 H  s               2.2       0.0       0.0       0.0       0.0       0.0
17 H  s               2.2       0.0       0.0       0.0       0.0       0.0
18 H  s               1.6       0.0       0.0       0.0       0.0       0.0
19 H  s               1.6       0.0       0.0       0.0       0.0       0.0

                     36        37        38        39        40        41   
                  -0.09968  -0.06989  -0.00445   0.07996   0.14580   0.15445
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.0       0.0       5.7       1.8
 0 C  pz              0.1       0.1      15.3      17.4       0.0       0.0
 0 C  px              0.0       0.0       0.0       0.0       4.0       3.0
 0 C  py              0.0       0.0       0.0       0.0       0.1       3.1
 1 C  s               0.0       0.0       0.0       0.0       5.7       1.8
 1 C  pz              0.1       0.1      15.3      17.4       0.0       0.0
 1 C  px              0.0       0.0       0.0       0.0       4.0       3.0
 1 C  py              0.0       0.0       0.0       0.0       0.1       3.1
 2 C  s               0.0       0.0       0.0       0.0       0.7       0.1
 2 C  pz             26.6       4.5       1.6      12.7       0.0       0.0
 2 C  px              0.0       0.0       0.0       0.0       0.2       0.4
 2 C  py              0.0       0.0       0.0       0.0       3.2       4.6
 3 C  s               0.0       0.0       0.0       0.0       0.7       0.1
 3 C  pz             26.6       4.5       1.6      12.7       0.0       0.0
 3 C  px              0.0       0.0       0.0       0.0       0.2       0.4
 3 C  py              0.0       0.0       0.0       0.0       3.2       4.6
 4 C  s               0.0       0.0       0.0       0.0       1.8       0.2
 4 C  pz             23.2       4.2       2.4      12.8       0.0       0.0
 4 C  px              0.0       0.0       0.0       0.0       0.2       0.6
 4 C  py              0.0       0.0       0.0       0.0       1.7       3.0
 5 C  s               0.0       0.0       0.0       0.0       1.8       0.2
 5 C  pz             23.2       4.2       2.4      12.8       0.0       0.0
 5 C  px              0.0       0.0       0.0       0.0       0.2       0.6
 5 C  py              0.0       0.0       0.0       0.0       1.7       3.0
 6 H  s               0.0       0.0       0.0       0.0       6.2       4.1
 7 H  s               0.0       0.0       0.0       0.0       6.2       4.1
 8 H  s               0.0       0.0       0.0       0.0       6.3       2.2
 9 H  s               0.0       0.0       0.0       0.0       6.3       2.2
10 C  s               0.0       0.0       0.0       0.0       2.5       0.2
10 C  pz              0.0      17.7      18.7       5.2       0.0       0.0
10 C  px              0.0       0.0       0.0       0.0       7.4       4.6
10 C  py              0.0       0.0       0.0       0.0       1.3       3.4
11 C  s               0.0       0.0       0.0       0.0       2.5       0.2
11 C  pz              0.0      17.7      18.7       5.2       0.0       0.0
11 C  px              0.0       0.0       0.0       0.0       7.4       4.6
11 C  py              0.0       0.0       0.0       0.0       1.3       3.4
12 H  s               0.0       0.0       0.0       0.0       0.9       5.9
13 H  s               0.0       0.0       0.0       0.0       0.9       5.9
14 C  s               0.0       0.0       0.0       0.0       0.9       0.1
14 C  pz              0.0      23.5      12.0       1.8       0.0       0.0
14 C  px              0.0       0.0       0.0       0.0       1.0       1.5
14 C  py              0.0       0.0       0.0       0.0       0.6       3.3
15 C  s               0.0       0.0       0.0       0.0       0.9       0.1
15 C  pz              0.0      23.5      12.0       1.8       0.0       0.0
15 C  px              0.0       0.0       0.0       0.0       1.0       1.5
15 C  py              0.0       0.0       0.0       0.0       0.6       3.3
16 H  s               0.0       0.0       0.0       0.0       0.8       4.3
17 H  s               0.0       0.0       0.0       0.0       0.8       4.3
18 H  s               0.0       0.0       0.0       0.0       4.6       3.6
19 H  s               0.0       0.0       0.0       0.0       4.6       3.6

                     42        43        44        45        46        47   
                   0.18484   0.20146   0.22400   0.22940   0.24564   0.25004
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.5       0.7       4.3       5.1       0.2      10.6
 0 C  px              7.6       0.2       0.2       0.5       1.2       0.7
 0 C  py              2.5       0.8       3.8       0.5       0.3       0.2
 1 C  s               2.5       0.7       4.3       5.1       0.2      10.6
 1 C  px              7.6       0.2       0.2       0.5       1.2       0.7
 1 C  py              2.5       0.8       3.8       0.5       0.3       0.2
 2 C  s               0.4       5.1       3.0       4.7       1.2       9.3
 2 C  px              2.5       0.6       1.9       0.6       3.9       1.5
 2 C  py              2.2       0.1       0.0       0.5       2.0       0.1
 3 C  s               0.4       5.1       3.0       4.7       1.2       9.3
 3 C  px              2.5       0.6       1.9       0.6       3.9       1.5
 3 C  py              2.2       0.1       0.0       0.5       2.0       0.1
 4 C  s               0.1       0.4      13.3       8.5       0.4       0.8
 4 C  px              2.6       1.4       0.1       2.2       0.4       2.7
 4 C  py              4.3       1.7       0.3       0.0       2.2       1.8
 5 C  s               0.1       0.4      13.3       8.5       0.4       0.8
 5 C  px              2.6       1.4       0.1       2.2       0.4       2.7
 5 C  py              4.3       1.7       0.3       0.0       2.2       1.8
 6 H  s               0.8       3.5       0.4       6.4       8.9       4.0
 7 H  s               0.8       3.5       0.4       6.4       8.9       4.0
 8 H  s               6.5       3.6       3.0       6.2       1.2       0.2
 9 H  s               6.5       3.6       3.0       6.2       1.2       0.2
10 C  s               7.8       2.7       1.1       0.4       4.8       4.5
10 C  px              4.9       0.5       1.3       0.2       0.0       0.0
10 C  py              0.2       3.8       1.2       0.6       2.7       0.5
11 C  s               7.8       2.7       1.1       0.4       4.8       4.5
11 C  px              4.9       0.5       1.3       0.2       0.0       0.0
11 C  py              0.2       3.8       1.2       0.6       2.7       0.5
12 H  s               2.2      11.5       1.8       0.6       8.3       3.9
13 H  s               2.2      11.5       1.8       0.6       8.3       3.9
14 C  s               0.6       0.1       5.8       4.4       1.4       4.1
14 C  px              0.3       2.6       0.0       0.0       4.2       0.1
14 C  py              0.1       2.9       1.4       1.9       0.0       0.4
15 C  s               0.6       0.1       5.8       4.4       1.4       4.1
15 C  px              0.3       2.6       0.0       0.0       4.2       0.1
15 C  py              0.1       2.9       1.4       1.9       0.0       0.4
16 H  s               0.0       5.5       5.6       4.9       0.0       3.6
17 H  s               0.0       5.5       5.6       4.9       0.0       3.6
18 H  s               1.8       2.5       1.5       1.7       6.8       1.0
19 H  s               1.8       2.5       1.5       1.7       6.8       1.0

                     48        49        50        51        52        53   
                   0.27375   0.29416   0.32725   0.35142   0.38516   0.40370
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.1       0.4       2.6       0.0       0.0       4.2
 0 C  px              0.3       0.0      13.5       0.0       0.0       0.1
 0 C  py              1.6       3.0       0.0       9.7       0.8       1.1
 1 C  s               2.1       0.4       2.6       0.0       0.0       4.2
 1 C  px              0.3       0.0      13.5       0.0       0.0       0.1
 1 C  py              1.6       3.0       0.0       9.7       0.8       1.1
 2 C  s               2.5       5.8       0.0       8.8       0.1       1.8
 2 C  px              0.8       0.8       0.0       0.6       2.2      13.5
 2 C  py              1.0       0.4       7.3       0.0       8.7       3.5
 3 C  s               2.5       5.8       0.0       8.8       0.1       1.8
 3 C  px              0.8       0.8       0.0       0.6       2.2      13.5
 3 C  py              1.0       0.4       7.3       0.0       8.7       3.5
 4 C  s               1.4       6.3       1.1       2.0       0.1       6.9
 4 C  px              0.2       1.0       0.0       7.9       2.6       7.1
 4 C  py              0.8       0.0       4.1       0.3      10.5       2.6
 5 C  s               1.4       6.3       1.1       2.0       0.1       6.9
 5 C  px              0.2       1.0       0.0       7.9       2.6       7.1
 5 C  py              0.8       0.0       4.1       0.3      10.5       2.6
 6 H  s               0.2       0.2       3.0       3.4       7.9       0.3
 7 H  s               0.2       0.2       3.0       3.4       7.9       0.3
 8 H  s               4.4       2.0       0.7       2.0       9.5       1.9
 9 H  s               4.4       2.0       0.7       2.0       9.5       1.9
10 C  s               3.0       1.0       6.8       0.6       1.7       2.8
10 C  px              0.5       0.1       0.0       0.0       0.5       0.0
10 C  py              0.0       0.1       0.6       1.8       0.6       0.1
11 C  s               3.0       1.0       6.8       0.6       1.7       2.8
11 C  px              0.5       0.1       0.0       0.0       0.5       0.0
11 C  py              0.0       0.1       0.6       1.8       0.6       0.1
12 H  s               2.3       0.3       3.1       0.6       0.2       1.3
13 H  s               2.3       0.3       3.1       0.6       0.2       1.3
14 C  s              12.6       6.5       0.5       0.0       1.6       0.0
14 C  px              0.0       5.1       0.8       7.0       1.7       0.2
14 C  py              1.3       1.8       2.6       0.3       0.2       1.6
15 C  s              12.6       6.5       0.5       0.0       1.6       0.0
15 C  px              0.0       5.1       0.8       7.0       1.7       0.2
15 C  py              1.3       1.8       2.6       0.3       0.2       1.6
16 H  s              11.2       4.3       1.0       0.0       0.8       1.0
17 H  s              11.2       4.3       1.0       0.0       0.8       1.0
18 H  s               3.7      10.8       2.0       4.8       0.1       0.0
19 H  s               3.7      10.8       2.0       4.8       0.1       0.0

                     54        55        56        57        58        59   
                   0.43346   0.44441   0.48520   0.51513   0.57506   0.58862
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               5.8       0.1       0.4       0.4       0.0       1.3
 0 C  px              0.0       2.8       4.3       0.1       0.2      11.8
 0 C  py              1.2       0.3       1.2       5.8      13.5       0.1
 1 C  s               5.8       0.1       0.4       0.4       0.0       1.3
 1 C  px              0.0       2.8       4.3       0.1       0.2      11.8
 1 C  py              1.2       0.3       1.2       5.8      13.5       0.1
 2 C  s               0.1       0.6       0.3       1.9       0.0       1.8
 2 C  px              0.0       6.3       3.5       0.2       7.0       2.8
 2 C  py              1.7       0.7       1.0       1.4       3.0       7.3
 3 C  s               0.1       0.6       0.3       1.9       0.0       1.8
 3 C  px              0.0       6.3       3.5       0.2       7.0       2.8
 3 C  py              1.7       0.7       1.0       1.4       3.0       7.3
 4 C  s               1.0       0.9       0.2       0.5       0.0       2.2
 4 C  px              0.8       4.2       5.2       1.3       6.7       2.4
 4 C  py              2.7       0.3       0.3       0.0       3.8       8.3
 5 C  s               1.0       0.9       0.2       0.5       0.0       2.2
 5 C  px              0.8       4.2       5.2       1.3       6.7       2.4
 5 C  py              2.7       0.3       0.3       0.0       3.8       8.3
 6 H  s               0.6       1.4       0.1       0.0       0.0       2.4
 7 H  s               0.6       1.4       0.1       0.0       0.0       2.4
 8 H  s               0.0       0.0       1.3       0.3       0.1       2.5
 9 H  s               0.0       0.0       1.3       0.3       0.1       2.5
10 C  s               1.0       1.2       1.6       3.3       0.6       0.1
10 C  px              7.9       1.5      12.5       3.2       1.5       4.2
10 C  py              2.0       8.7       0.7      12.8       6.1       0.0
11 C  s               1.0       1.2       1.6       3.3       0.6       0.1
11 C  px              7.9       1.5      12.5       3.2       1.5       4.2
11 C  py              2.0       8.7       0.7      12.8       6.1       0.0
12 H  s               4.5       3.6       0.9       1.2       0.8       0.1
13 H  s               4.5       3.6       0.9       1.2       0.8       0.1
14 C  s               0.3       0.9       1.9       4.5       1.7       0.1
14 C  px              3.9      10.2       0.0       6.4       2.1       0.0
14 C  py              7.8       0.1      11.3       6.1       2.5       1.6
15 C  s               0.3       0.9       1.9       4.5       1.7       0.1
15 C  px              3.9      10.2       0.0       6.4       2.1       0.0
15 C  py              7.8       0.1      11.3       6.1       2.5       1.6
16 H  s               4.6       2.2       2.9       0.0       0.1       0.6
17 H  s               4.6       2.2       2.9       0.0       0.1       0.6
18 H  s               4.1       4.0       0.6       0.5       0.1       0.1
19 H  s               4.1       4.0       0.6       0.5       0.1       0.1



                      *****************************
                      * MAYER POPULATION ANALYSIS *
                      *****************************

  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence

  ATOM       NA         ZA         QA         VA         BVA        FA
  0 C      5.9441     6.0000     0.0559     3.9572     3.9212     0.0360
  1 C      5.9441     6.0000     0.0559     3.9572     3.9212     0.0360
  2 C      6.0383     6.0000    -0.0383     3.9562     3.9556     0.0006
  3 C      6.0383     6.0000    -0.0383     3.9562     3.9556     0.0006
  4 C      6.0403     6.0000    -0.0403     3.9582     3.9571     0.0011
  5 C      6.0403     6.0000    -0.0403     3.9582     3.9571     0.0011
  6 H      0.8730     1.0000     0.1270     0.9839     0.9839     0.0000
  7 H      0.8730     1.0000     0.1270     0.9839     0.9839     0.0000
  8 H      0.8771     1.0000     0.1229     0.9849     0.9849     0.0000
  9 H      0.8771     1.0000     0.1229     0.9849     0.9849     0.0000
 10 C      6.0400     6.0000    -0.0400     3.9557     3.9545     0.0012
 11 C      6.0400     6.0000    -0.0400     3.9557     3.9545     0.0012
 12 H      0.8757     1.0000     0.1243     0.9846     0.9846     0.0000
 13 H      0.8757     1.0000     0.1243     0.9846     0.9846     0.0000
 14 C      6.0761     6.0000    -0.0761     3.9110     3.8288     0.0822
 15 C      6.0761     6.0000    -0.0761     3.9110     3.8288     0.0822
 16 H      0.8766     1.0000     0.1234     0.9848     0.9846     0.0002
 17 H      0.8766     1.0000     0.1234     0.9848     0.9846     0.0002
 18 H      0.8586     1.0000     0.1414     0.9800     0.9798     0.0002
 19 H      0.8586     1.0000     0.1414     0.9800     0.9798     0.0002

  Mayer bond orders larger than 0.1
B(  0-C ,  2-C ) :   1.2633 B(  0-C ,  5-C ) :   1.2622 B(  0-C , 11-C ) :   1.1686 
B(  1-C ,  3-C ) :   1.2633 B(  1-C ,  4-C ) :   1.2622 B(  1-C , 10-C ) :   1.1686 
B(  2-C ,  4-C ) :   1.5533 B(  2-C ,  6-H ) :   0.9525 B(  3-C ,  5-C ) :   1.5533 
B(  3-C ,  7-H ) :   0.9525 B(  4-C ,  8-H ) :   0.9517 B(  5-C ,  9-H ) :   0.9517 
B( 10-C , 12-H ) :   0.9501 B( 10-C , 14-C ) :   1.7049 B( 11-C , 13-H ) :   0.9501 
B( 11-C , 15-C ) :   1.7049 B( 14-C , 16-H ) :   0.9574 B( 14-C , 18-H ) :   0.9560 
B( 15-C , 17-H ) :   0.9574 B( 15-C , 19-H ) :   0.9560 

-------
TIMINGS
-------

Total SCF time: 0 days 0 hours 0 min 18 sec 

Total time                  ....      18.964 sec
Sum of individual times     ....      18.941 sec  ( 99.9%)

Fock matrix formation       ....      16.543 sec  ( 87.2%)
  XC integration            ....       4.025 sec  ( 24.3% of F)
    Basis function eval.    ....       1.666 sec  ( 41.4% of XC)
    Density eval.           ....       0.776 sec  ( 19.3% of XC)
    XC-Functional eval.     ....       0.703 sec  ( 17.5% of XC)
    XC-Potential eval.      ....       0.794 sec  ( 19.7% of XC)
Diagonalization             ....       0.017 sec  (  0.1%)
Density matrix formation    ....       0.002 sec  (  0.0%)
Population analysis         ....       0.036 sec  (  0.2%)
Initial guess               ....       0.443 sec  (  2.3%)
Orbital Transformation      ....       0.000 sec  (  0.0%)
Orbital Orthonormalization  ....       0.000 sec  (  0.0%)
DIIS solution               ....       0.028 sec  (  0.1%)
Grid generation             ....       1.872 sec  (  9.9%)

-------------------------   --------------------
FINAL SINGLE POINT ENERGY      -381.827630562176
-------------------------   --------------------


                            ***************************************
                            *     ORCA property calculations      *
                            ***************************************

                                    ---------------------
                                    Active property flags
                                    ---------------------
   (+) Dipole Moment


------------------------------------------------------------------------------
                       ORCA ELECTRIC PROPERTIES CALCULATION
------------------------------------------------------------------------------

Dipole Moment Calculation                       ... on
Quadrupole Moment Calculation                   ... off
Polarizability Calculation                      ... off
GBWName                                         ... dvb_sp_un.gbw
Electron density file                           ... dvb_sp_un.scfp.tmp
The origin for moment calculation is the CENTER OF MASS  = ( 0.000000,  0.000000  0.000000)

-------------
DIPOLE MOMENT
-------------
                                X             Y             Z
Electronic contribution:     -0.00000      -0.00000      -0.00000
Nuclear contribution   :      0.00000       0.00000       0.00000
                        -----------------------------------------
Total Dipole Moment    :     -0.00000      -0.00000      -0.00000
                        -----------------------------------------
Magnitude (a.u.)       :      0.00000
Magnitude (Debye)      :      0.00000


Timings for individual modules:

Sum of individual times         ...       19.282 sec (=   0.321 min)
GTO integral calculation        ...        0.295 sec (=   0.005 min)   1.5 %
SCF iterations                  ...       18.987 sec (=   0.316 min)  98.5 %
                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 0 minutes 19 seconds 441 msec