File: dvb_sp.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.in
|  1> ! rks 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 0 1
| 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> 
| 34> 
| 35>                          ****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.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
 Hartree-Fock type      HFTyp           .... RHF
 Total Charge           Charge          ....    0
 Multiplicity           Mult            ....    1
 Number of Electrons    NEL             ....   70
 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        .... on
   Start iteration      SOSCFMaxIt      ....   150
   Startup grad/error   SOSCFStart      ....  0.003300
 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
 Orbital Gradient       TolG            ....  5.000e-05
 Orbital Rotation angle TolX            ....  5.000e-05
 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 =    0.336 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 1-Ag
Irrep occupations for operator 0
    Ag -   15
    Bg -    3
    Au -    2
    Bu -   15
                      ------------------
                      INITIAL GUESS DONE (   0.8 sec)
                      ------------------
--------------
SCF ITERATIONS
--------------
               ***  Starting incremental Fock matrix formation  ***

                         ----------------------------
                         !        ITERATION     0   !
                         ----------------------------
   Total Energy        :    -381.997619951973 Eh
   Energy Change       :    -381.997619951973 Eh
   MAX-DP              :       0.042342933710
   RMS-DP              :       0.003173453043
   Actual Damping      :       0.7000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    69.99576793 (UP=   34.99788397 DN=   34.99788397)
   Exchange            :   -43.89571174
   Correlation         :    -2.72812585


                         ----------------------------
                         !        ITERATION     1   !
                         ----------------------------
   Total Energy        :    -382.018218578058 Eh
   Energy Change       :      -0.020598626085 Eh
   MAX-DP              :       0.033285425295
   RMS-DP              :       0.002506839235
   Actual Damping      :       0.7000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    69.99606569 (UP=   34.99803284 DN=   34.99803284)
   Exchange            :   -43.86075536
   Correlation         :    -2.72442450

                               ***Turning on DIIS***

                         ----------------------------
                         !        ITERATION     2   !
                         ----------------------------
   Total Energy        :    -382.029550226647 Eh
   Energy Change       :      -0.011331648590 Eh
   MAX-DP              :       0.065303228262
   RMS-DP              :       0.004968923608
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    69.99630249 (UP=   34.99815125 DN=   34.99815125)
   Exchange            :   -43.83444227
   Correlation         :    -2.72149653
   DIIS-Error          :       0.025950615054


                         ----------------------------
                         !        ITERATION     3   !
                         ----------------------------
   Total Energy        :    -382.047119511195 Eh
   Energy Change       :      -0.017569284547 Eh
   MAX-DP              :       0.022074655270
   RMS-DP              :       0.001613364856
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    69.99676867 (UP=   34.99838433 DN=   34.99838433)
   Exchange            :   -43.78665526
   Correlation         :    -2.71568773
   DIIS-Error          :       0.017364200469
   DIIS coefficients:
      0.36890   0.63110


                         ----------------------------
                         !        ITERATION     4   !
                         ----------------------------
   Total Energy        :    -382.049575633181 Eh
   Energy Change       :      -0.002456121986 Eh
   MAX-DP              :       0.005535724845
   RMS-DP              :       0.000389105000
   Actual Damping      :       0.0000
   Actual Level Shift  :       0.2500 Eh
   Int. Num. El.       :    69.99661815 (UP=   34.99830907 DN=   34.99830907)
   Exchange            :   -43.80316370
   Correlation         :    -2.71741499
   DIIS-Error          :       0.003855131409
   DIIS coefficients:
      0.12882   0.07873   0.79245

                      *** Initiating the SOSCF procedure ***
                           *** Shutting down DIIS ***
                      *** Re-Reading the Fockian *** 
                      *** Removing any level shift *** 

                         ----------------------------
                         !        ITERATION     5   !
                         ----------------------------
   Total Energy        :    -382.049694504729 Eh
   Energy Change       :      -0.000118871547 Eh
   MAX-DP              :       0.000973742467
   RMS-DP              :       0.000076250254
   Orbital gradient    :       0.000380605826
   Orbital Rotation    :       0.000380605826
   Actual Damping      :       0.0000
   Int. Num. El.       :    69.99659306 (UP=   34.99829653 DN=   34.99829653)
   Exchange            :   -43.80665121
   Correlation         :    -2.71779528

               *** Restarting incremental Fock matrix formation ***

                         ----------------------------
                         !        ITERATION     6   !
                         ----------------------------
   Total Energy        :    -382.049701305951 Eh
   Energy Change       :      -0.000006801222 Eh
   MAX-DP              :       0.000886957115
   RMS-DP              :       0.000047907994
   Orbital gradient    :       0.000224537467
   Orbital Rotation    :       0.000899180113
   Actual Damping      :       0.0000
   Int. Num. El.       :    69.99658652 (UP=   34.99829326 DN=   34.99829326)
   Exchange            :   -43.80719970
   Correlation         :    -2.71785350


                         ----------------------------
                         !        ITERATION     7   !
                         ----------------------------
   Total Energy        :    -382.049701433235 Eh
   Energy Change       :      -0.000000127285 Eh
   MAX-DP              :       0.000638200789
   RMS-DP              :       0.000027655444
   Orbital gradient    :       0.000167855092
   Orbital Rotation    :       0.000354419113
   Actual Damping      :       0.0000
   Int. Num. El.       :    69.99658258 (UP=   34.99829129 DN=   34.99829129)
   Exchange            :   -43.80740289
   Correlation         :    -2.71787386


                         ----------------------------
                         !        ITERATION     8   !
                         ----------------------------
   Total Energy        :    -382.049701902725 Eh
   Energy Change       :      -0.000000469489 Eh
   MAX-DP              :       0.000205552646
   RMS-DP              :       0.000013838800
   Orbital gradient    :       0.000054580198
   Orbital Rotation    :       0.000118663483
   Actual Damping      :       0.0000
   Int. Num. El.       :    69.99658352 (UP=   34.99829176 DN=   34.99829176)
   Exchange            :   -43.80738197
   Correlation         :    -2.71787237

                 **** Energy Check signals convergence ****
              ***Rediagonalizing the Fockian in SOSCF/NRSCF***

               *****************************************************
               *                     SUCCESS                       *
               *           SCF CONVERGED AFTER   9 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    1.6 sec
Final integration                            ... done (   0.8 sec)
Change in XC energy                          ...    -0.001056117
Integrated number of electrons               ...    69.999944078
Previous integrated no of electrons          ...    69.996584380

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

Total Energy       :         -382.05075804 Eh          -10396.12966 eV

Components:
Nuclear Repulsion  :          445.93697787 Eh           12134.56208 eV
Electronic Energy  :         -827.98773591 Eh          -22530.69173 eV
One Electron Energy:        -1400.63627758 Eh          -38113.25075 eV
Two Electron Energy:          572.64854167 Eh           15582.55902 eV

Virial components:
Potential Energy   :         -757.89248248 Eh          -20623.30292 eV
Kinetic Energy     :          375.84172444 Eh           10227.17326 eV
Virial Ratio       :            2.01652034


DFT components:
N(Alpha)           :       34.999972038905 electrons
N(Beta)            :       34.999972038905 electrons
N(Total)           :       69.999944077811 electrons
E(X)               :      -43.808373149416 Eh       
E(C)               :       -2.717837523557 Eh       
E(XC)              :      -46.526210672973 Eh       

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

  Last Energy change         ...   -1.9946e-08  Tolerance :   1.0000e-06
  Last MAX-Density change    ...    9.9654e-05  Tolerance :   1.0000e-05
  Last RMS-Density change    ...    6.5341e-06  Tolerance :   1.0000e-06
  Last Orbital Gradient      ...    3.7275e-05  Tolerance :   5.0000e-05
  Last Orbital Rotation      ...    3.7888e-05  Tolerance :   5.0000e-05

             **** THE GBW FILE WAS UPDATED (dvb_sp.gbw) ****
             **** DENSITY FILE WAS UPDATED (dvb_sp.scfp.tmp) ****
             **** ENERGY FILE WAS UPDATED (dvb_sp.en.tmp) ****
----------------
ORBITAL ENERGIES
----------------

  NO   OCC          E(Eh)            E(eV)    Irrep 
   0   2.0000     -10.016142      -272.5531    1-Bu
   1   2.0000     -10.016094      -272.5518    1-Ag
   2   2.0000     -10.004066      -272.2245    2-Bu
   3   2.0000     -10.004065      -272.2244    2-Ag
   4   2.0000     -10.003025      -272.1962    3-Ag
   5   2.0000     -10.003023      -272.1961    3-Bu
   6   2.0000     -10.002383      -272.1787    4-Bu
   7   2.0000     -10.002239      -272.1748    4-Ag
   8   2.0000      -9.988406      -271.7983    5-Bu
   9   2.0000      -9.988406      -271.7983    5-Ag
  10   2.0000      -0.805883       -21.9292    6-Ag
  11   2.0000      -0.750292       -20.4165    6-Bu
  12   2.0000      -0.714193       -19.4342    7-Ag
  13   2.0000      -0.696284       -18.9468    7-Bu
  14   2.0000      -0.663668       -18.0593    8-Bu
  15   2.0000      -0.584912       -15.9163    8-Ag
  16   2.0000      -0.555536       -15.1169    9-Ag
  17   2.0000      -0.527824       -14.3628    9-Bu
  18   2.0000      -0.506319       -13.7776   10-Ag
  19   2.0000      -0.453953       -12.3527   11-Ag
  20   2.0000      -0.435562       -11.8522   10-Bu
  21   2.0000      -0.407413       -11.0863   11-Bu
  22   2.0000      -0.394066       -10.7231   12-Bu
  23   2.0000      -0.392418       -10.6782   12-Ag
  24   2.0000      -0.370812       -10.0903   13-Bu
  25   2.0000      -0.347391        -9.4530   14-Bu
  26   2.0000      -0.343436        -9.3454   13-Ag
  27   2.0000      -0.320811        -8.7297    1-Au
  28   2.0000      -0.307432        -8.3657   15-Bu
  29   2.0000      -0.289362        -7.8740   14-Ag
  30   2.0000      -0.283862        -7.7243   15-Ag
  31   2.0000      -0.259765        -7.0686    1-Bg
  32   2.0000      -0.208591        -5.6760    2-Au
  33   2.0000      -0.191511        -5.2113    2-Bg
  34   2.0000      -0.149275        -4.0620    3-Bg
  35   0.0000       0.041213         1.1215    3-Au
  36   0.0000       0.093845         2.5536    4-Au
  37   0.0000       0.114445         3.1142    4-Bg
  38   0.0000       0.185911         5.0589    5-Au
  39   0.0000       0.276036         7.5113    5-Bg
  40   0.0000       0.336080         9.1452   16-Ag
  41   0.0000       0.344180         9.3656   16-Bu
  42   0.0000       0.383190        10.4271   17-Bu
  43   0.0000       0.384806        10.4711   17-Ag
  44   0.0000       0.413970        11.2647   18-Ag
  45   0.0000       0.414854        11.2888   18-Bu
  46   0.0000       0.429401        11.6846   19-Bu
  47   0.0000       0.443036        12.0556   19-Ag
  48   0.0000       0.457435        12.4474   20-Bu
  49   0.0000       0.482028        13.1166   20-Ag
  50   0.0000       0.529256        14.4018   21-Ag
  51   0.0000       0.550017        14.9667   21-Bu
  52   0.0000       0.580068        15.7844   22-Ag
  53   0.0000       0.602079        16.3834   22-Bu
  54   0.0000       0.628541        17.1035   23-Bu
  55   0.0000       0.643479        17.5099   23-Ag
  56   0.0000       0.686464        18.6796   24-Ag
  57   0.0000       0.720983        19.6189   24-Bu
  58   0.0000       0.782712        21.2987   25-Ag
  59   0.0000       0.797950        21.7133   25-Bu
------------------
MOLECULAR ORBITALS
------------------
                      0         1         2         3         4         5   
                 -10.01614 -10.01609 -10.00407 -10.00407 -10.00303 -10.00302
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.699262 -0.699258 -0.027924  0.028168  0.002675 -0.029279
  0C   2s        -0.031572 -0.031364  0.004074 -0.004033 -0.000656  0.008160
  0C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  0C   1px        0.000898  0.000617  0.004218 -0.004184  0.000279 -0.003246
  0C   1py        0.000131  0.000137  0.000029 -0.000040 -0.005282  0.000579
  1C   1s         0.699262 -0.699258  0.027924  0.028168  0.002675  0.029279
  1C   2s         0.031572 -0.031364 -0.004074 -0.004033 -0.000656 -0.008160
  1C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  1C   1px        0.000898 -0.000617  0.004218  0.004184 -0.000279 -0.003246
  1C   1py        0.000131 -0.000137  0.000029  0.000040  0.005282  0.000579
  2C   1s         0.019241  0.019705  0.012133 -0.015091 -0.448550 -0.437876
  2C   2s         0.007762  0.006940  0.000702 -0.000704 -0.024779 -0.024562
  2C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
  2C   1px        0.002005  0.002408 -0.000041 -0.000032  0.003743  0.003935
  2C   1py        0.003919  0.003771  0.000130 -0.000200 -0.000406 -0.000507
  3C   1s        -0.019241  0.019705 -0.012133 -0.015091 -0.448550  0.437876
  3C   2s        -0.007762  0.006940 -0.000702 -0.000704 -0.024779  0.024562
  3C   1pz       -0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
  3C   1px        0.002005 -0.002408 -0.000041  0.000032 -0.003743  0.003935
  3C   1py        0.003919 -0.003771  0.000130  0.000200  0.000406 -0.000507
  4C   1s        -0.019520  0.019838 -0.009827 -0.011028  0.537384  0.545217
  4C   2s        -0.007724  0.006881 -0.000566 -0.000422  0.027861  0.028307
  4C   1pz        0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  4C   1px        0.001991 -0.002403 -0.000074  0.000044  0.003258  0.003355
  4C   1py       -0.003892  0.003723 -0.000146 -0.000209  0.000459  0.000630
  5C   1s         0.019520  0.019838  0.009827 -0.011028  0.537384 -0.545217
  5C   2s         0.007724  0.006881  0.000566 -0.000422  0.027861 -0.028307
  5C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  5C   1px        0.001991  0.002403 -0.000074 -0.000044 -0.003258  0.003355
  5C   1py       -0.003892 -0.003723 -0.000146  0.000209 -0.000459  0.000630
  6H   1s        -0.000338 -0.000226 -0.000106  0.000112  0.004147  0.004096
  7H   1s         0.000338 -0.000226  0.000106  0.000112  0.004147 -0.004096
  8H   1s         0.000337 -0.000226 -0.000042 -0.000058 -0.004975 -0.005061
  9H   1s        -0.000337 -0.000226  0.000042 -0.000058 -0.004975  0.005061
 10C   1s        -0.027495  0.027866  0.699751  0.699667 -0.001320  0.014187
 10C   2s        -0.006728  0.006798  0.030780  0.030762 -0.000065  0.000747
 10C   1pz        0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
 10C   1px       -0.004067  0.004106 -0.000950 -0.000960 -0.000012 -0.000047
 10C   1py        0.000237 -0.000239 -0.000921 -0.000920 -0.000111 -0.000063
 11C   1s         0.027495  0.027866 -0.699751  0.699667 -0.001320 -0.014187
 11C   2s         0.006728  0.006798 -0.030780  0.030762 -0.000065 -0.000747
 11C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000  0.000000
 11C   1px       -0.004067 -0.004106 -0.000950  0.000960  0.000012 -0.000047
 11C   1py        0.000237  0.000239 -0.000921  0.000920  0.000111 -0.000063
 12H   1s         0.000327 -0.000338 -0.006418 -0.006416  0.000002 -0.000185
 13H   1s        -0.000327 -0.000338  0.006418 -0.006416  0.000002  0.000185
 14C   1s         0.000184 -0.000198 -0.008171 -0.008164 -0.000268 -0.000940
 14C   2s         0.000476 -0.000479 -0.007620 -0.007619 -0.000042 -0.000283
 14C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
 14C   1px        0.000280 -0.000287 -0.002892 -0.002890 -0.000011 -0.000137
 14C   1py        0.000042 -0.000044 -0.003573 -0.003573  0.000035 -0.000053
 15C   1s        -0.000184 -0.000198  0.008171 -0.008164 -0.000268  0.000940
 15C   2s        -0.000476 -0.000479  0.007620 -0.007619 -0.000042  0.000283
 15C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
 15C   1px        0.000280  0.000287 -0.002892  0.002890  0.000011 -0.000137
 15C   1py        0.000042  0.000044 -0.003573  0.003573 -0.000035 -0.000053
 16H   1s        -0.000149  0.000141  0.000187  0.000188  0.000154  0.000152
 17H   1s         0.000149  0.000141 -0.000187  0.000188  0.000154 -0.000152
 18H   1s        -0.000028  0.000028  0.000217  0.000218 -0.000004 -0.000007
 19H   1s         0.000028  0.000028 -0.000217  0.000218 -0.000004  0.000007
                      6         7         8         9        10        11   
                 -10.00238 -10.00224  -9.98841  -9.98841  -0.80588  -0.75029
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.003055 -0.030010  0.000178 -0.000180  0.107863  0.103594
  0C   2s         0.000899  0.007489  0.000159 -0.000157 -0.274699 -0.273903
  0C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  0C   1px       -0.000353 -0.003031  0.000045 -0.000043  0.041097 -0.033275
  0C   1py       -0.005161 -0.000456  0.000030 -0.000032  0.001304 -0.001034
  1C   1s         0.003055 -0.030010 -0.000178 -0.000180  0.107863 -0.103594
  1C   2s        -0.000899  0.007489 -0.000159 -0.000157 -0.274699  0.273903
  1C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  1C   1px       -0.000353  0.003031  0.000045  0.000043 -0.041097 -0.033275
  1C   1py       -0.005161  0.000456  0.000030  0.000032 -0.001304 -0.001034
  2C   1s        -0.546234 -0.537476  0.000277 -0.000570  0.097851  0.039087
  2C   2s        -0.019993 -0.019400 -0.000002  0.000061 -0.247026 -0.102284
  2C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000 -0.000000
  2C   1px       -0.002250 -0.002399 -0.000079  0.000024  0.023147 -0.053666
  2C   1py       -0.000588 -0.000245 -0.000019  0.000021 -0.050302 -0.036765
  3C   1s         0.546234 -0.537476 -0.000277 -0.000570  0.097851 -0.039087
  3C   2s         0.019993 -0.019400  0.000002  0.000061 -0.247026  0.102284
  3C   1pz       -0.000000  0.000000  0.000000 -0.000000 -0.000000  0.000000
  3C   1px       -0.002250  0.002399 -0.000079 -0.000024 -0.023147 -0.053666
  3C   1py       -0.000588  0.000245 -0.000019 -0.000021  0.050302 -0.036765
  4C   1s        -0.439187 -0.448770 -0.000792 -0.000853  0.097582 -0.042806
  4C   2s        -0.014242 -0.014689  0.000016  0.000036 -0.246701  0.112598
  4C   1pz       -0.000000 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  4C   1px        0.003044  0.003023 -0.000105 -0.000088 -0.023473 -0.053449
  4C   1py       -0.000454 -0.000170 -0.000011 -0.000012 -0.050372  0.036318
  5C   1s         0.439187 -0.448770  0.000792 -0.000853  0.097582  0.042806
  5C   2s         0.014242 -0.014689 -0.000016  0.000036 -0.246701 -0.112598
  5C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  5C   1px        0.003044 -0.003023 -0.000105  0.000088  0.023473 -0.053449
  5C   1py       -0.000454  0.000170 -0.000011  0.000012  0.050372  0.036318
  6H   1s         0.004809  0.004899 -0.000012  0.000017 -0.044948 -0.026897
  7H   1s        -0.004809  0.004899  0.000012  0.000017 -0.044948  0.026897
  8H   1s         0.003831  0.004100 -0.000103 -0.000103 -0.045197  0.030786
  9H   1s        -0.003831  0.004100  0.000103 -0.000103 -0.045197 -0.030786
 10C   1s         0.003204 -0.017555 -0.009064 -0.009068  0.049687 -0.113797
 10C   2s         0.000164 -0.000759  0.006890  0.006890 -0.127726  0.297108
 10C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
 10C   1px       -0.000025  0.000184 -0.002821 -0.002821 -0.030208  0.014103
 10C   1py        0.000005  0.000057 -0.003599 -0.003598  0.008018 -0.032317
 11C   1s        -0.003204 -0.017555  0.009064 -0.009068  0.049687  0.113797
 11C   2s        -0.000164 -0.000759 -0.006890  0.006890 -0.127726 -0.297108
 11C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
 11C   1px       -0.000025 -0.000184 -0.002821  0.002821  0.030208  0.014103
 11C   1py        0.000005 -0.000057 -0.003599  0.003598 -0.008018 -0.032317
 12H   1s        -0.000051  0.000254 -0.000043 -0.000043 -0.025589  0.067005
 13H   1s         0.000051  0.000254  0.000043 -0.000043 -0.025589 -0.067005
 14C   1s         0.000235  0.001166 -0.700477 -0.700477  0.024633 -0.080677
 14C   2s        -0.000022  0.000330 -0.030861 -0.030861 -0.062581  0.209158
 14C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
 14C   1px        0.000001  0.000174 -0.000775 -0.000775 -0.017997  0.043005
 14C   1py       -0.000053  0.000084 -0.001030 -0.001030 -0.015592  0.045045
 15C   1s        -0.000235  0.001166  0.700477 -0.700477  0.024633  0.080677
 15C   2s         0.000022  0.000330  0.030861 -0.030861 -0.062581 -0.209158
 15C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
 15C   1px        0.000001 -0.000174 -0.000775  0.000775  0.017997  0.043005
 15C   1py       -0.000053 -0.000084 -0.001030  0.001030  0.015592  0.045045
 16H   1s        -0.000095 -0.000101  0.006360  0.006360 -0.014095  0.048523
 17H   1s         0.000095 -0.000101 -0.006360  0.006360 -0.014095 -0.048523
 18H   1s         0.000011  0.000010  0.006369  0.006369 -0.010572  0.043698
 19H   1s        -0.000011  0.000010 -0.006369  0.006369 -0.010572 -0.043698
                     12        13        14        15        16        17   
                  -0.71419  -0.69628  -0.66367  -0.58491  -0.55554  -0.52782
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.004570  0.012583  0.099599 -0.070947  0.054261 -0.013071
  0C   2s        -0.014950 -0.034027 -0.273917  0.206294 -0.160613  0.037197
  0C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
  0C   1px       -0.096561  0.002025  0.058349  0.091184 -0.032596 -0.141940
  0C   1py       -0.005637  0.127088 -0.008270 -0.107451 -0.192955  0.030512
  1C   1s         0.004570 -0.012583 -0.099599 -0.070947  0.054261  0.013071
  1C   2s        -0.014950  0.034027  0.273917  0.206294 -0.160613 -0.037197
  1C   1pz        0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  1C   1px        0.096561  0.002025  0.058349 -0.091184  0.032596 -0.141940
  1C   1py        0.005637  0.127088 -0.008270  0.107451  0.192955  0.030512
  2C   1s        -0.046280  0.132312  0.040756 -0.003015 -0.110436 -0.050682
  2C   2s         0.121379 -0.357086 -0.112640  0.010010  0.325937  0.154495
  2C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  2C   1px       -0.039242  0.054891 -0.083875  0.152866  0.049562  0.003940
  2C   1py        0.009819  0.012695 -0.052433  0.055835 -0.074325  0.006031
  3C   1s        -0.046280 -0.132312 -0.040756 -0.003015 -0.110436  0.050682
  3C   2s         0.121379  0.357086  0.112640  0.010010  0.325937 -0.154495
  3C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000 -0.000000
  3C   1px        0.039242  0.054891 -0.083875 -0.152866 -0.049562  0.003940
  3C   1py       -0.009819  0.012695 -0.052433 -0.055835  0.074325  0.006031
  4C   1s        -0.041705  0.120107 -0.073257  0.081871  0.057514  0.030386
  4C   2s         0.108884 -0.323930  0.202168 -0.233668 -0.170856 -0.092105
  4C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  4C   1px        0.046394 -0.070444 -0.055248 -0.033435  0.182433  0.083401
  4C   1py        0.009847  0.023290  0.045549  0.060671 -0.057037 -0.022360
  5C   1s        -0.041705 -0.120107  0.073257  0.081871  0.057514 -0.030386
  5C   2s         0.108884  0.323930 -0.202168 -0.233668 -0.170856  0.092105
  5C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  5C   1px       -0.046394 -0.070444 -0.055248  0.033435 -0.182433  0.083401
  5C   1py       -0.009847  0.023290  0.045549 -0.060671  0.057037 -0.022360
  6H   1s         0.023322 -0.098323 -0.032194  0.019335  0.169208  0.050347
  7H   1s         0.023322  0.098323  0.032194  0.019335  0.169208 -0.050347
  8H   1s         0.016587 -0.090016  0.053460 -0.106354 -0.083986 -0.055864
  9H   1s         0.016587  0.090016 -0.053460 -0.106354 -0.083986  0.055864
 10C   1s         0.119250 -0.000202  0.051636 -0.053073  0.007616 -0.098867
 10C   2s        -0.314839  0.001277 -0.136897  0.159626 -0.024621  0.302738
 10C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
 10C   1px        0.049149  0.014431  0.120783  0.114058 -0.084449  0.021344
 10C   1py        0.054263  0.025712  0.060021  0.101478  0.033127  0.120949
 11C   1s         0.119250  0.000202 -0.051636 -0.053073  0.007616  0.098867
 11C   2s        -0.314839 -0.001277  0.136897  0.159626 -0.024621 -0.302738
 11C   1pz       -0.000000 -0.000000 -0.000000  0.000000 -0.000000 -0.000000
 11C   1px       -0.049149  0.014431  0.120783 -0.114058  0.084449  0.021344
 11C   1py       -0.054263  0.025712  0.060021 -0.101478 -0.033127  0.120949
 12H   1s        -0.076525  0.009858 -0.037605  0.080077  0.032110  0.170437
 13H   1s        -0.076525 -0.009858  0.037605  0.080077  0.032110 -0.170437
 14C   1s         0.117463  0.014494  0.110325  0.083735 -0.037889  0.080693
 14C   2s        -0.309743 -0.037891 -0.299636 -0.241445  0.113553 -0.248972
 14C   1pz        0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
 14C   1px       -0.043898 -0.006518 -0.010374  0.032063 -0.051117  0.070069
 14C   1py       -0.057173  0.000487 -0.036773  0.041468  0.005418  0.136594
 15C   1s         0.117463 -0.014494 -0.110325  0.083735 -0.037889 -0.080693
 15C   2s        -0.309743  0.037891  0.299636 -0.241445  0.113553  0.248972
 15C   1pz        0.000000  0.000000  0.000000  0.000000  0.000000 -0.000000
 15C   1px        0.043898 -0.006518 -0.010374 -0.032063  0.051117  0.070069
 15C   1py        0.057173  0.000487 -0.036773 -0.041468 -0.005418  0.136594
 16H   1s        -0.074170 -0.014794 -0.077432 -0.103606  0.022852 -0.160603
 17H   1s        -0.074170  0.014794  0.077432 -0.103606  0.022852  0.160603
 18H   1s        -0.074924 -0.008948 -0.090119 -0.097970  0.068001 -0.125047
 19H   1s        -0.074924  0.008948  0.090119 -0.097970  0.068001  0.125047
                     18        19        20        21        22        23   
                  -0.50632  -0.45395  -0.43556  -0.40741  -0.39407  -0.39242
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.054610 -0.032357 -0.022658 -0.069481 -0.022812 -0.021581
  0C   2s         0.162399  0.106553  0.077719  0.235385  0.077630  0.071265
  0C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  0C   1px       -0.137321  0.138853  0.112115 -0.009762 -0.178080  0.012582
  0C   1py       -0.042656 -0.028885  0.145834 -0.103986  0.193527 -0.013767
  1C   1s        -0.054610 -0.032357  0.022658  0.069481  0.022812 -0.021581
  1C   2s         0.162399  0.106553 -0.077719 -0.235385 -0.077630  0.071265
  1C   1pz        0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  1C   1px        0.137321 -0.138853  0.112115 -0.009762 -0.178080 -0.012582
  1C   1py        0.042656  0.028885  0.145834 -0.103986  0.193527  0.013767
  2C   1s         0.007080 -0.013312  0.021986  0.047450 -0.001283  0.025177
  2C   2s        -0.025895  0.051396 -0.074017 -0.163149  0.001598 -0.084092
  2C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  2C   1px        0.056208  0.162239 -0.185794  0.023757 -0.119043  0.081510
  2C   1py        0.196590 -0.111555 -0.012454  0.229158 -0.016324  0.007447
  3C   1s         0.007080 -0.013312 -0.021986 -0.047450  0.001283  0.025177
  3C   2s        -0.025895  0.051396  0.074017  0.163149 -0.001598 -0.084092
  3C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000 -0.000000
  3C   1px       -0.056208 -0.162239 -0.185794  0.023757 -0.119043 -0.081510
  3C   1py       -0.196590  0.111555 -0.012454  0.229158 -0.016324 -0.007447
  4C   1s         0.052221  0.019753 -0.042471 -0.044138  0.011770 -0.018303
  4C   2s        -0.165948 -0.056119  0.138572  0.153155 -0.036765  0.068179
  4C   1pz       -0.000000 -0.000000  0.000000  0.000000  0.000000  0.000000
  4C   1px        0.003315 -0.120426  0.116656 -0.156764  0.096957 -0.128327
  4C   1py        0.205346 -0.105892 -0.078550 -0.140650 -0.238217 -0.059049
  5C   1s         0.052221  0.019753  0.042471  0.044138 -0.011770 -0.018303
  5C   2s        -0.165948 -0.056119 -0.138572 -0.153155  0.036765  0.068179
  5C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  5C   1px       -0.003315  0.120426  0.116656 -0.156764  0.096957  0.128327
  5C   1py       -0.205346  0.105892 -0.078550 -0.140650 -0.238217  0.059049
  6H   1s        -0.099709  0.136031 -0.100006 -0.226810 -0.036849 -0.006386
  7H   1s        -0.099709  0.136031  0.100006  0.226810  0.036849 -0.006386
  8H   1s        -0.169311  0.090607  0.059476  0.230556  0.132897  0.113970
  9H   1s        -0.169311  0.090607 -0.059476 -0.230556 -0.132897  0.113970
 10C   1s         0.059073  0.040257  0.016862 -0.015222 -0.002625  0.027517
 10C   2s        -0.180561 -0.127880 -0.051482  0.042037  0.015115 -0.080138
 10C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
 10C   1px        0.012208  0.201024 -0.135127 -0.117842  0.172057  0.038886
 10C   1py       -0.063181 -0.082328  0.199953 -0.058072  0.072156  0.261945
 11C   1s         0.059073  0.040257 -0.016862  0.015222  0.002625  0.027517
 11C   2s        -0.180561 -0.127880  0.051482 -0.042037 -0.015115 -0.080138
 11C   1pz        0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
 11C   1px       -0.012208 -0.201024 -0.135127 -0.117842  0.172057 -0.038886
 11C   1py        0.063181  0.082328  0.199953 -0.058072  0.072156 -0.261945
 12H   1s        -0.112384 -0.152960  0.155689  0.028245  0.012307  0.145696
 13H   1s        -0.112384 -0.152960 -0.155689 -0.028245 -0.012307  0.145696
 14C   1s        -0.051453 -0.016889 -0.008073  0.012164  0.001101  0.004576
 14C   2s         0.163149  0.063358  0.031202 -0.050557  0.007319 -0.000368
 14C   1pz       -0.000000 -0.000000 -0.000000 -0.000000  0.000000  0.000000
 14C   1px       -0.067635  0.043495 -0.222447  0.118765  0.079273 -0.332368
 14C   1py       -0.091531 -0.208463  0.053961  0.097145 -0.241005 -0.067094
 15C   1s        -0.051453 -0.016889  0.008073 -0.012164 -0.001101  0.004576
 15C   2s         0.163149  0.063358 -0.031202  0.050557 -0.007319 -0.000368
 15C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
 15C   1px        0.067635 -0.043495 -0.222447  0.118765  0.079273  0.332368
 15C   1py        0.091531  0.208463  0.053961  0.097145 -0.241005  0.067094
 16H   1s         0.094573  0.179180 -0.072712 -0.042628  0.215735 -0.025115
 17H   1s         0.094573  0.179180  0.072712  0.042628 -0.215735 -0.025115
 18H   1s         0.097302 -0.020940  0.178221 -0.104650 -0.087505  0.262494
 19H   1s         0.097302 -0.020940 -0.178221  0.104650  0.087505  0.262494
                     24        25        26        27        28        29   
                  -0.37081  -0.34739  -0.34344  -0.32081  -0.30743  -0.28936
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.002569  0.003131 -0.025072 -0.000000  0.010273 -0.003424
  0C   2s         0.008808 -0.011618  0.090280 -0.000000 -0.044825  0.022825
  0C   1pz       -0.000000 -0.000000 -0.000000  0.337701 -0.000000 -0.000000
  0C   1px       -0.063589 -0.148091 -0.015527 -0.000000 -0.253972  0.243137
  0C   1py       -0.096864 -0.194663  0.087523  0.000000  0.050959  0.173457
  1C   1s         0.002569 -0.003131 -0.025072  0.000000 -0.010273 -0.003424
  1C   2s        -0.008808  0.011618  0.090280  0.000000  0.044825  0.022825
  1C   1pz       -0.000000  0.000000  0.000000  0.337701  0.000000  0.000000
  1C   1px       -0.063589 -0.148091  0.015527  0.000000 -0.253972 -0.243137
  1C   1py       -0.096864 -0.194663 -0.087523 -0.000000  0.050959 -0.173457
  2C   1s        -0.028473 -0.017622 -0.005282 -0.000000 -0.006861  0.002712
  2C   2s         0.090641  0.063682  0.026880  0.000000  0.021222 -0.008827
  2C   1pz       -0.000000  0.000000  0.000000  0.297971  0.000000  0.000000
  2C   1px       -0.194182  0.204660  0.153077  0.000000 -0.051154 -0.252423
  2C   1py        0.279252  0.136731 -0.104473 -0.000000  0.057218 -0.176837
  3C   1s         0.028473  0.017622 -0.005282 -0.000000  0.006861  0.002712
  3C   2s        -0.090641 -0.063682  0.026880  0.000000 -0.021222 -0.008827
  3C   1pz       -0.000000 -0.000000  0.000000  0.297971  0.000000  0.000000
  3C   1px       -0.194182  0.204660 -0.153077  0.000000 -0.051154  0.252423
  3C   1py        0.279252  0.136731  0.104473 -0.000000  0.057218  0.176837
  4C   1s        -0.019699  0.007103  0.007521  0.000000  0.013759 -0.008881
  4C   2s         0.062200 -0.020381 -0.025287 -0.000000 -0.047289  0.024694
  4C   1pz        0.000000 -0.000000 -0.000000  0.297146  0.000000  0.000000
  4C   1px        0.191893 -0.202291 -0.148550 -0.000000  0.031587  0.217910
  4C   1py        0.222798  0.038217  0.039834 -0.000000 -0.141329  0.118070
  5C   1s         0.019699 -0.007103  0.007521 -0.000000 -0.013759 -0.008881
  5C   2s        -0.062200  0.020381 -0.025287  0.000000  0.047289  0.024694
  5C   1pz       -0.000000  0.000000  0.000000  0.297146  0.000000 -0.000000
  5C   1px        0.191893 -0.202291  0.148550  0.000000  0.031587 -0.217910
  5C   1py        0.222798  0.038217 -0.039834  0.000000 -0.141329 -0.118070
  6H   1s        -0.252399  0.007283  0.156522 -0.000000 -0.046694  0.020314
  7H   1s         0.252399 -0.007283  0.156522 -0.000000  0.046694  0.020314
  8H   1s        -0.218309  0.046628 -0.007740 -0.000000  0.053894 -0.240472
  9H   1s         0.218309 -0.046628 -0.007740 -0.000000 -0.053894 -0.240472
 10C   1s         0.001924  0.001036  0.016948 -0.000000 -0.002730 -0.019895
 10C   2s        -0.004591  0.012635 -0.071475  0.000000  0.006596  0.082856
 10C   1pz        0.000000  0.000000  0.000000  0.173879 -0.000000  0.000000
 10C   1px        0.068882  0.151708 -0.051765 -0.000000  0.202800  0.251926
 10C   1py       -0.007767  0.229753 -0.220123  0.000000 -0.186192 -0.001892
 11C   1s        -0.001924 -0.001036  0.016948 -0.000000  0.002730 -0.019895
 11C   2s         0.004591 -0.012635 -0.071475  0.000000 -0.006596  0.082856
 11C   1pz        0.000000 -0.000000  0.000000  0.173879  0.000000  0.000000
 11C   1px        0.068882  0.151708  0.051765 -0.000000  0.202800 -0.251926
 11C   1py       -0.007767  0.229753  0.220123  0.000000 -0.186192  0.001892
 12H   1s        -0.017051  0.145725 -0.200108 -0.000000 -0.259096 -0.066446
 13H   1s         0.017051 -0.145725 -0.200108  0.000000  0.259096 -0.066446
 14C   1s        -0.004475  0.020583 -0.010497  0.000000 -0.003453  0.008352
 14C   2s         0.018552 -0.056779  0.027047  0.000000  0.014296 -0.021339
 14C   1pz        0.000000 -0.000000 -0.000000  0.092334 -0.000000 -0.000000
 14C   1px        0.018464 -0.222271 -0.096934  0.000000 -0.167978 -0.138361
 14C   1py       -0.074354 -0.158760  0.283036 -0.000000  0.174118 -0.051369
 15C   1s         0.004475 -0.020583 -0.010497  0.000000  0.003453  0.008352
 15C   2s        -0.018552  0.056779  0.027047  0.000000 -0.014296 -0.021339
 15C   1pz       -0.000000 -0.000000 -0.000000  0.092334 -0.000000 -0.000000
 15C   1px        0.018464 -0.222271  0.096934  0.000000 -0.167978  0.138361
 15C   1py       -0.074354 -0.158760 -0.283036 -0.000000  0.174118  0.051369
 16H   1s         0.053816  0.051232 -0.268102 -0.000000 -0.231015 -0.052404
 17H   1s        -0.053816 -0.051232 -0.268102 -0.000000  0.231015 -0.052404
 18H   1s        -0.015450  0.157732  0.143328  0.000000  0.212323  0.135441
 19H   1s         0.015450 -0.157732  0.143328 -0.000000 -0.212323  0.135441
                     30        31        32        33        34        35   
                  -0.28386  -0.25976  -0.20859  -0.19151  -0.14927   0.04121
                   2.00000   2.00000   2.00000   2.00000   2.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.006995  0.000000 -0.000000  0.000000 -0.000000  0.000000
  0C   2s        -0.033804  0.000000  0.000000 -0.000000  0.000000  0.000000
  0C   1pz        0.000000 -0.349217 -0.017869 -0.005714 -0.387411  0.442677
  0C   1px       -0.142507 -0.000000  0.000000 -0.000000  0.000000  0.000000
  0C   1py        0.276115  0.000000  0.000000 -0.000000  0.000000 -0.000000
  1C   1s         0.006995 -0.000000  0.000000 -0.000000 -0.000000  0.000000
  1C   2s        -0.033804 -0.000000  0.000000  0.000000  0.000000 -0.000000
  1C   1pz        0.000000  0.349217 -0.017869  0.005714  0.387411  0.442677
  1C   1px        0.142507 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  1C   1py       -0.276115  0.000000  0.000000  0.000000 -0.000000 -0.000000
  2C   1s         0.012015 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  2C   2s        -0.035646 -0.000000  0.000000  0.000000  0.000000  0.000000
  2C   1pz       -0.000000 -0.131742 -0.179200 -0.463615 -0.214983 -0.232295
  2C   1px        0.085128 -0.000000  0.000000 -0.000000  0.000000  0.000000
  2C   1py       -0.210885  0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  3C   1s         0.012015  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  3C   2s        -0.035646  0.000000  0.000000  0.000000 -0.000000 -0.000000
  3C   1pz        0.000000  0.131742 -0.179200  0.463615  0.214983 -0.232295
  3C   1px       -0.085128  0.000000 -0.000000  0.000000  0.000000  0.000000
  3C   1py        0.210885 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  4C   1s        -0.007614 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
  4C   2s         0.021948  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  4C   1pz       -0.000000  0.132142 -0.176635 -0.457548  0.230644 -0.277573
  4C   1px       -0.140950  0.000000  0.000000 -0.000000  0.000000  0.000000
  4C   1py        0.260934  0.000000  0.000000 -0.000000  0.000000  0.000000
  5C   1s        -0.007614  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  5C   2s         0.021948 -0.000000  0.000000 -0.000000  0.000000  0.000000
  5C   1pz       -0.000000 -0.132142 -0.176635  0.457548 -0.230644 -0.277573
  5C   1px        0.140950  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  5C   1py       -0.260934  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  6H   1s         0.258134  0.000000 -0.000000  0.000000 -0.000000 -0.000000
  7H   1s         0.258134 -0.000000 -0.000000  0.000000  0.000000  0.000000
  8H   1s        -0.151355  0.000000 -0.000000 -0.000000  0.000000  0.000000
  9H   1s        -0.151355 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
 10C   1s         0.011121  0.000000 -0.000000 -0.000000  0.000000  0.000000
 10C   2s        -0.038415 -0.000000 -0.000000  0.000000  0.000000 -0.000000
 10C   1pz        0.000000  0.376369  0.413858  0.000340 -0.223931  0.255978
 10C   1px       -0.133089  0.000000 -0.000000  0.000000 -0.000000  0.000000
 10C   1py        0.116438 -0.000000  0.000000  0.000000  0.000000  0.000000
 11C   1s         0.011121  0.000000  0.000000  0.000000  0.000000 -0.000000
 11C   2s        -0.038415  0.000000 -0.000000  0.000000 -0.000000 -0.000000
 11C   1pz        0.000000 -0.376369  0.413858 -0.000340  0.223931  0.255978
 11C   1px        0.133089 -0.000000 -0.000000  0.000000 -0.000000  0.000000
 11C   1py       -0.116438  0.000000  0.000000  0.000000 -0.000000  0.000000
 12H   1s         0.182772  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 13H   1s         0.182772 -0.000000  0.000000 -0.000000  0.000000 -0.000000
 14C   1s         0.004656 -0.000000  0.000000 -0.000000  0.000000 -0.000000
 14C   2s        -0.018320 -0.000000 -0.000000  0.000000  0.000000  0.000000
 14C   1pz       -0.000000  0.271168  0.417891 -0.009553 -0.397470 -0.449669
 14C   1px        0.055284  0.000000  0.000000  0.000000 -0.000000 -0.000000
 14C   1py       -0.101818 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 15C   1s         0.004656  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 15C   2s        -0.018320 -0.000000  0.000000  0.000000  0.000000  0.000000
 15C   1pz        0.000000 -0.271168  0.417891  0.009553  0.397470 -0.449669
 15C   1px       -0.055284  0.000000  0.000000  0.000000  0.000000 -0.000000
 15C   1py        0.101818  0.000000  0.000000  0.000000 -0.000000  0.000000
 16H   1s         0.115936  0.000000  0.000000 -0.000000 -0.000000  0.000000
 17H   1s         0.115936  0.000000 -0.000000 -0.000000  0.000000 -0.000000
 18H   1s        -0.089850  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 19H   1s        -0.089850  0.000000 -0.000000 -0.000000 -0.000000  0.000000
                     36        37        38        39        40        41   
                   0.09384   0.11444   0.18591   0.27604   0.33608   0.34418
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.000000 -0.000000  0.000000 -0.000000  0.068160  0.033692
  0C   2s        -0.000000  0.000000  0.000000  0.000000 -0.401089 -0.197917
  0C   1pz        0.031923 -0.023441  0.497153  0.543417 -0.000000  0.000000
  0C   1px        0.000000 -0.000000 -0.000000 -0.000000 -0.284159 -0.180474
  0C   1py       -0.000000  0.000000  0.000000  0.000000  0.040680  0.258638
  1C   1s         0.000000  0.000000 -0.000000  0.000000  0.068160 -0.033692
  1C   2s        -0.000000 -0.000000  0.000000  0.000000 -0.401089  0.197917
  1C   1pz        0.031923  0.023441  0.497153 -0.543417 -0.000000 -0.000000
  1C   1px       -0.000000 -0.000000  0.000000 -0.000000  0.284159 -0.180474
  1C   1py        0.000000 -0.000000 -0.000000 -0.000000 -0.040680  0.258638
  2C   1s         0.000000  0.000000 -0.000000  0.000000  0.028217 -0.005934
  2C   2s        -0.000000 -0.000000 -0.000000 -0.000000 -0.173910  0.028640
  2C   1pz       -0.582688  0.240673 -0.166730 -0.464218  0.000000 -0.000000
  2C   1px       -0.000000  0.000000 -0.000000  0.000000 -0.103358 -0.069205
  2C   1py        0.000000 -0.000000  0.000000 -0.000000  0.291641  0.348875
  3C   1s         0.000000 -0.000000 -0.000000 -0.000000  0.028217  0.005934
  3C   2s        -0.000000  0.000000  0.000000  0.000000 -0.173910 -0.028640
  3C   1pz       -0.582688 -0.240673 -0.166730  0.464218 -0.000000  0.000000
  3C   1px        0.000000  0.000000 -0.000000  0.000000  0.103358 -0.069205
  3C   1py        0.000000 -0.000000 -0.000000 -0.000000 -0.291641  0.348875
  4C   1s        -0.000000  0.000000 -0.000000 -0.000000  0.046549  0.015902
  4C   2s         0.000000  0.000000  0.000000  0.000000 -0.281253 -0.096863
  4C   1pz        0.553241 -0.232230 -0.199193  0.466914 -0.000000  0.000000
  4C   1px       -0.000000  0.000000  0.000000  0.000000  0.089360 -0.052408
  4C   1py        0.000000  0.000000 -0.000000  0.000000  0.220446  0.281470
  5C   1s         0.000000 -0.000000  0.000000 -0.000000  0.046549 -0.015902
  5C   2s         0.000000 -0.000000  0.000000 -0.000000 -0.281253  0.096863
  5C   1pz        0.553241  0.232230 -0.199193 -0.466914  0.000000  0.000000
  5C   1px        0.000000 -0.000000 -0.000000 -0.000000 -0.089360 -0.052408
  5C   1py        0.000000 -0.000000  0.000000  0.000000 -0.220446  0.281470
  6H   1s        -0.000000  0.000000  0.000000 -0.000000  0.414176  0.321908
  7H   1s         0.000000 -0.000000 -0.000000  0.000000  0.414176 -0.321908
  8H   1s         0.000000  0.000000  0.000000 -0.000000  0.424100  0.271319
  9H   1s        -0.000000  0.000000  0.000000  0.000000  0.424100 -0.271319
 10C   1s         0.000000  0.000000 -0.000000  0.000000 -0.049997 -0.007774
 10C   2s        -0.000000 -0.000000 -0.000000  0.000000  0.281967  0.047399
 10C   1pz       -0.003808  0.522137 -0.529170  0.287731 -0.000000 -0.000000
 10C   1px       -0.000000 -0.000000 -0.000000 -0.000000  0.373685 -0.270274
 10C   1py       -0.000000  0.000000 -0.000000  0.000000 -0.185628  0.304100
 11C   1s         0.000000 -0.000000  0.000000 -0.000000 -0.049997  0.007774
 11C   2s        -0.000000  0.000000  0.000000  0.000000  0.281967 -0.047399
 11C   1pz       -0.003808 -0.522137 -0.529170 -0.287731 -0.000000  0.000000
 11C   1px        0.000000  0.000000 -0.000000 -0.000000 -0.373685 -0.270274
 11C   1py        0.000000 -0.000000 -0.000000 -0.000000  0.185628  0.304100
 12H   1s        -0.000000  0.000000  0.000000 -0.000000  0.144376 -0.433971
 13H   1s         0.000000 -0.000000 -0.000000  0.000000  0.144376  0.433971
 14C   1s        -0.000000  0.000000  0.000000  0.000000  0.040912 -0.002455
 14C   2s        -0.000000 -0.000000 -0.000000  0.000000 -0.236872  0.018737
 14C   1pz       -0.010761 -0.523149  0.379733 -0.156149  0.000000  0.000000
 14C   1px        0.000000  0.000000 -0.000000 -0.000000  0.168778 -0.214023
 14C   1py        0.000000  0.000000 -0.000000 -0.000000 -0.111789  0.271789
 15C   1s        -0.000000 -0.000000 -0.000000  0.000000  0.040912  0.002455
 15C   2s        -0.000000  0.000000 -0.000000  0.000000 -0.236872 -0.018737
 15C   1pz       -0.010761  0.523149  0.379733  0.156149 -0.000000 -0.000000
 15C   1px       -0.000000  0.000000  0.000000  0.000000 -0.168778 -0.214023
 15C   1py       -0.000000  0.000000  0.000000  0.000000  0.111789  0.271789
 16H   1s         0.000000  0.000000  0.000000 -0.000000 -0.107725  0.323430
 17H   1s         0.000000 -0.000000  0.000000  0.000000 -0.107725 -0.323430
 18H   1s         0.000000 -0.000000 -0.000000 -0.000000  0.358160 -0.283204
 19H   1s         0.000000 -0.000000  0.000000 -0.000000  0.358160  0.283204
                     42        43        44        45        46        47   
                   0.38319   0.38481   0.41397   0.41485   0.42940   0.44304
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.058365  0.022708 -0.052793 -0.081121 -0.022128  0.128955
  0C   2s        -0.338533 -0.137183  0.318494  0.475828  0.138176 -0.782423
  0C   1pz        0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
  0C   1px       -0.439008  0.057051  0.110567 -0.001932 -0.258164  0.036641
  0C   1py       -0.172681  0.114509  0.281056  0.116020  0.069417 -0.013333
  1C   1s        -0.058365  0.022708 -0.052793  0.081121  0.022128  0.128955
  1C   2s         0.338533 -0.137183  0.318494 -0.475828 -0.138176 -0.782423
  1C   1pz       -0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  1C   1px       -0.439008 -0.057051 -0.110567 -0.001932 -0.258164 -0.036641
  1C   1py       -0.172681 -0.114509 -0.281056  0.116020  0.069417  0.013333
  2C   1s        -0.025098 -0.064352 -0.072587  0.074072  0.059510 -0.080126
  2C   2s         0.152589  0.392947  0.443844 -0.440184 -0.368675  0.500160
  2C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000  0.000000
  2C   1px       -0.205221  0.122884 -0.154652  0.006233 -0.363035  0.281951
  2C   1py       -0.166525  0.018410 -0.074744  0.102596  0.260450  0.028184
  3C   1s         0.025098 -0.064352 -0.072587 -0.074072 -0.059510 -0.080126
  3C   2s        -0.152589  0.392947  0.443844  0.440184  0.368675  0.500160
  3C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
  3C   1px       -0.205221 -0.122884  0.154652  0.006233 -0.363035 -0.281951
  3C   1py       -0.166525 -0.018410  0.074744  0.102596  0.260450 -0.028184
  4C   1s         0.005096 -0.019974  0.101475 -0.101375 -0.007341 -0.065779
  4C   2s        -0.023282  0.127690 -0.620026  0.612970  0.032855  0.410731
  4C   1pz       -0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  4C   1px       -0.273682 -0.175119 -0.003723 -0.130594 -0.143367 -0.281103
  4C   1py       -0.315625 -0.205832 -0.039899 -0.027328  0.188413  0.195936
  5C   1s        -0.005096 -0.019974  0.101475  0.101375  0.007341 -0.065779
  5C   2s         0.023282  0.127690 -0.620026 -0.612970 -0.032855  0.410731
  5C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  5C   1px       -0.273682  0.175119  0.003723 -0.130594 -0.143367  0.281103
  5C   1py       -0.315625  0.205832  0.039899 -0.027328  0.188413 -0.195936
  6H   1s        -0.115723 -0.291174 -0.226783  0.321952  0.603359 -0.324210
  7H   1s         0.115723 -0.291174 -0.226783 -0.321952 -0.603359 -0.324210
  8H   1s        -0.405490 -0.294928  0.223364 -0.354139  0.044979 -0.192073
  9H   1s         0.405490 -0.294928  0.223364  0.354139 -0.044979 -0.192073
 10C   1s         0.093425  0.063518  0.024876 -0.040804  0.071333 -0.092281
 10C   2s        -0.545806 -0.381751 -0.158203  0.257412 -0.447297  0.557108
 10C   1pz       -0.000000  0.000000  0.000000 -0.000000 -0.000000  0.000000
 10C   1px       -0.337709  0.127367 -0.207908  0.143851 -0.012812  0.064888
 10C   1py        0.002929 -0.321964 -0.176440  0.188784 -0.230275  0.128340
 11C   1s        -0.093425  0.063518  0.024876  0.040804 -0.071333 -0.092281
 11C   2s         0.545806 -0.381751 -0.158203 -0.257412  0.447297  0.557108
 11C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
 11C   1px       -0.337709 -0.127367  0.207908  0.143851 -0.012812 -0.064888
 11C   1py        0.002929  0.321964  0.176440  0.188784 -0.230275 -0.128340
 12H   1s         0.158242  0.579560  0.170098 -0.212070  0.437494 -0.364362
 13H   1s        -0.158242  0.579560  0.170098  0.212070 -0.437494 -0.364362
 14C   1s        -0.050850 -0.019958  0.103369 -0.085896  0.019973  0.067527
 14C   2s         0.297209  0.111001 -0.646970  0.539840 -0.133762 -0.410078
 14C   1pz        0.000000  0.000000  0.000000 -0.000000  0.000000  0.000000
 14C   1px       -0.157295  0.284744  0.036487 -0.092629  0.299547  0.050710
 14C   1py        0.076859 -0.261355  0.247325 -0.270110 -0.002707  0.008043
 15C   1s         0.050850 -0.019958  0.103369  0.085896 -0.019973  0.067527
 15C   2s        -0.297209  0.111001 -0.646970 -0.539840  0.133762 -0.410078
 15C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 15C   1px       -0.157295 -0.284744 -0.036487 -0.092629  0.299547 -0.050710
 15C   1py        0.076859  0.261355 -0.247325 -0.270110 -0.002707 -0.008043
 16H   1s         0.011269 -0.391895  0.513103 -0.447791 -0.052497  0.211611
 17H   1s        -0.011269 -0.391895  0.513103  0.447791  0.052497  0.211611
 18H   1s        -0.351962  0.252406  0.320624 -0.318013  0.336582  0.259621
 19H   1s         0.351962  0.252406  0.320624  0.318013 -0.336582  0.259621
                     48        49        50        51        52        53   
                   0.45744   0.48203   0.52926   0.55002   0.58007   0.60208
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s         0.060927  0.037110  0.067305 -0.003163  0.000497  0.058714
  0C   2s        -0.362299 -0.231936 -0.449239  0.011168  0.002666 -0.405343
  0C   1pz       -0.000000  0.000000 -0.000000  0.000000  0.000000  0.000000
  0C   1px        0.086793 -0.009483  0.614568  0.033893 -0.077339 -0.047635
  0C   1py        0.162034  0.351197 -0.026504 -0.562778  0.196498  0.245277
  1C   1s        -0.060927  0.037110  0.067305  0.003163  0.000497 -0.058714
  1C   2s         0.362299 -0.231936 -0.449239 -0.011168  0.002666  0.405343
  1C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  1C   1px        0.086793  0.009483 -0.614568  0.033893  0.077339 -0.047635
  1C   1py        0.162034 -0.351197  0.026504 -0.562778 -0.196498  0.245277
  2C   1s        -0.058466 -0.111708 -0.011923  0.096605 -0.003862  0.036800
  2C   2s         0.354170  0.705952  0.077923 -0.647773  0.031173 -0.250165
  2C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000  0.000000
  2C   1px        0.103626 -0.131550  0.079825 -0.109588 -0.284396  0.677608
  2C   1py        0.167251  0.072528  0.472059  0.003007  0.497046  0.330897
  3C   1s         0.058466 -0.111708 -0.011923 -0.096605 -0.003862 -0.036800
  3C   2s        -0.354170  0.705952  0.077923  0.647773  0.031173  0.250165
  3C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000 -0.000000
  3C   1px        0.103626  0.131550 -0.079825 -0.109588  0.284396  0.677608
  3C   1py        0.167251 -0.072528 -0.472059  0.003007 -0.497046  0.330897
  4C   1s         0.066392  0.097713 -0.049121  0.035487  0.002097 -0.087336
  4C   2s        -0.407302 -0.619767  0.317846 -0.247320 -0.020693  0.600256
  4C   1pz        0.000000 -0.000000  0.000000 -0.000000  0.000000 -0.000000
  4C   1px        0.112741 -0.200868 -0.027958  0.503761 -0.308648  0.443628
  4C   1py        0.193412  0.107054  0.323992 -0.112938 -0.580965 -0.263447
  5C   1s        -0.066392  0.097713 -0.049121 -0.035487  0.002097  0.087336
  5C   2s         0.407302 -0.619767  0.317846  0.247320 -0.020693 -0.600256
  5C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
  5C   1px        0.112741  0.200868  0.027958  0.503761  0.308648  0.443628
  5C   1py        0.193412 -0.107054 -0.323992 -0.112938  0.580965 -0.263447
  6H   1s        -0.078251 -0.219385  0.252827  0.306614  0.448513  0.078046
  7H   1s         0.078251 -0.219385  0.252827 -0.306614  0.448513 -0.078046
  8H   1s         0.477040  0.333629  0.055908  0.209742 -0.519194 -0.261149
  9H   1s        -0.477040  0.333629  0.055908 -0.209742 -0.519194  0.261149
 10C   1s         0.070774 -0.030570  0.075244 -0.026891 -0.051404  0.060571
 10C   2s        -0.428410  0.213614 -0.491531  0.194425  0.351291 -0.415760
 10C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
 10C   1px        0.127673  0.068210  0.034128  0.001711 -0.132955  0.072903
 10C   1py       -0.042190  0.042581 -0.149618 -0.269382 -0.143773 -0.053600
 11C   1s        -0.070774 -0.030570  0.075244  0.026891 -0.051404 -0.060571
 11C   2s         0.428410  0.213614 -0.491531 -0.194425  0.351291  0.415760
 11C   1pz        0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
 11C   1px        0.127673 -0.068210 -0.034128  0.001711  0.132955  0.072903
 11C   1py       -0.042190 -0.042581  0.149618 -0.269382  0.143773 -0.053600
 12H   1s         0.300085 -0.071942  0.307721  0.148619 -0.092479  0.237655
 13H   1s        -0.300085 -0.071942  0.307721 -0.148619 -0.092479 -0.237655
 14C   1s        -0.112908 -0.064614 -0.019815  0.008971  0.042705 -0.006898
 14C   2s         0.706948  0.415093  0.123119 -0.069450 -0.290326  0.043012
 14C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
 14C   1px       -0.000760 -0.355442 -0.179797 -0.480909 -0.249435  0.063033
 14C   1py       -0.148060 -0.194702  0.316694 -0.056890 -0.125720  0.276582
 15C   1s         0.112908 -0.064614 -0.019815 -0.008971  0.042705  0.006898
 15C   2s        -0.706948  0.415093  0.123119  0.069450 -0.290326 -0.043012
 15C   1pz       -0.000000  0.000000 -0.000000  0.000000 -0.000000  0.000000
 15C   1px       -0.000760  0.355442  0.179797 -0.480909  0.249435  0.063033
 15C   1py       -0.148060  0.194702 -0.316694 -0.056890  0.125720  0.276582
 16H   1s        -0.525394 -0.295305  0.229864  0.100379  0.140146  0.204422
 17H   1s         0.525394 -0.295305  0.229864 -0.100379  0.140146 -0.204422
 18H   1s        -0.324116 -0.475208 -0.248148 -0.356237 -0.064036 -0.004306
 19H   1s         0.324116 -0.475208 -0.248148  0.356237 -0.064036  0.004306
                     54        55        56        57        58        59   
                   0.62854   0.64348   0.68646   0.72098   0.78271   0.79795
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
  0C   1s        -0.089958 -0.015074  0.016612  0.020053  0.004990 -0.044158
  0C   2s         0.608975  0.090442 -0.106023 -0.141416 -0.033398  0.328557
  0C   1pz        0.000000 -0.000000 -0.000000  0.000000  0.000000 -0.000000
  0C   1px        0.016886  0.379139 -0.355138  0.059305 -0.066046 -0.675653
  0C   1py        0.217826 -0.057057 -0.193037  0.470891  0.701319  0.051906
  1C   1s         0.089958 -0.015074  0.016612 -0.020053  0.004990  0.044158
  1C   2s        -0.608975  0.090442 -0.106023  0.141416 -0.033398 -0.328557
  1C   1pz       -0.000000  0.000000 -0.000000 -0.000000 -0.000000  0.000000
  1C   1px        0.016886 -0.379139  0.355138  0.059305  0.066046 -0.675653
  1C   1py        0.217826  0.057057  0.193037  0.470891 -0.701319  0.051906
  2C   1s        -0.007323 -0.027272 -0.019053 -0.046106 -0.007463  0.051957
  2C   2s         0.063822  0.191286  0.137369  0.333564  0.051911 -0.376788
  2C   1pz        0.000000 -0.000000 -0.000000 -0.000000  0.000000 -0.000000
  2C   1px       -0.045649 -0.420286 -0.367918  0.094732  0.487248  0.331591
  2C   1py       -0.262512  0.187679 -0.174662  0.213137  0.324446 -0.520734
  3C   1s         0.007323 -0.027272 -0.019053  0.046106 -0.007463 -0.051957
  3C   2s        -0.063822  0.191286  0.137369 -0.333564  0.051911  0.376788
  3C   1pz       -0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  3C   1px       -0.045649  0.420286  0.367918  0.094732 -0.487248  0.331591
  3C   1py       -0.262512 -0.187679  0.174662  0.213137 -0.324446 -0.520734
  4C   1s        -0.035163  0.031813  0.016558 -0.020786  0.007595 -0.056741
  4C   2s         0.232139 -0.218869 -0.120003  0.155163 -0.051520  0.413741
  4C   1pz       -0.000000 -0.000000  0.000000  0.000000 -0.000000  0.000000
  4C   1px       -0.243872 -0.329667 -0.439083 -0.218830  0.477453  0.308304
  4C   1py        0.330488  0.120262 -0.095984  0.010737 -0.362215  0.555146
  5C   1s         0.035163  0.031813  0.016558  0.020786  0.007595  0.056741
  5C   2s        -0.232139 -0.218869 -0.120003 -0.155163 -0.051520 -0.413741
  5C   1pz       -0.000000  0.000000  0.000000 -0.000000 -0.000000 -0.000000
  5C   1px       -0.243872  0.329667  0.439083 -0.218830 -0.477453  0.308304
  5C   1py        0.330488 -0.120262  0.095984  0.010737  0.362215  0.555146
  6H   1s        -0.140906  0.209556 -0.041682 -0.020932  0.007351 -0.269639
  7H   1s         0.140906  0.209556 -0.041682  0.020932  0.007351  0.269639
  8H   1s        -0.002128  0.057208 -0.196177 -0.104543 -0.039207  0.277875
  9H   1s         0.002128  0.057208 -0.196177  0.104543 -0.039207 -0.277875
 10C   1s         0.023247  0.041179  0.041820 -0.061513  0.027358  0.012747
 10C   2s        -0.178792 -0.285862 -0.327786  0.466392 -0.217404 -0.078484
 10C   1pz        0.000000  0.000000 -0.000000 -0.000000  0.000000  0.000000
 10C   1px        0.525480 -0.260344  0.636001 -0.358037  0.243814 -0.359171
 10C   1py       -0.226378  0.513421  0.218850 -0.676392  0.476488 -0.038081
 11C   1s        -0.023247  0.041179  0.041820  0.061513  0.027358 -0.012747
 11C   2s         0.178792 -0.285862 -0.327786 -0.466392 -0.217404  0.078484
 11C   1pz       -0.000000  0.000000  0.000000  0.000000 -0.000000 -0.000000
 11C   1px        0.525480  0.260344 -0.636001 -0.358037 -0.243814 -0.359171
 11C   1py       -0.226378 -0.513421 -0.218850 -0.676392 -0.476488 -0.038081
 12H   1s         0.350379 -0.314720  0.147474  0.170984 -0.157508 -0.048116
 13H   1s        -0.350379 -0.314720  0.147474 -0.170984 -0.157508  0.048116
 14C   1s        -0.018568 -0.031377 -0.049033  0.071309 -0.041650  0.009594
 14C   2s         0.131759  0.227445  0.366744 -0.538034  0.325573 -0.081838
 14C   1pz       -0.000000 -0.000000  0.000000 -0.000000 -0.000000 -0.000000
 14C   1px       -0.320976  0.555354  0.100654 -0.467918  0.273216  0.034397
 14C   1py        0.482283 -0.078871  0.605308 -0.478067  0.304100 -0.216305
 15C   1s         0.018568 -0.031377 -0.049033 -0.071309 -0.041650 -0.009594
 15C   2s        -0.131759  0.227445  0.366744  0.538034  0.325573  0.081838
 15C   1pz       -0.000000 -0.000000 -0.000000  0.000000  0.000000  0.000000
 15C   1px       -0.320976 -0.555354 -0.100654 -0.467918 -0.273216  0.034397
 15C   1py        0.482283  0.078871 -0.605308 -0.478067 -0.304100 -0.216305
 16H   1s         0.362882 -0.289154  0.262932 -0.009827  0.032400 -0.137205
 17H   1s        -0.362882 -0.289154  0.262932  0.009827  0.032400  0.137205
 18H   1s        -0.338924  0.330795 -0.115970 -0.093374  0.047917  0.064768
 19H   1s         0.338924  0.330795 -0.115970  0.093374  0.047917 -0.064768



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

-----------------------
MULLIKEN ATOMIC CHARGES
-----------------------
   0 C :   -0.004652
   1 C :   -0.004652
   2 C :   -0.076267
   3 C :   -0.076267
   4 C :   -0.076747
   5 C :   -0.076747
   6 H :    0.077593
   7 H :    0.077593
   8 H :    0.079009
   9 H :    0.079009
  10 C :   -0.075985
  11 C :   -0.075985
  12 H :    0.076343
  13 H :    0.076343
  14 C :   -0.154107
  15 C :   -0.154107
  16 H :    0.075842
  17 H :    0.075842
  18 H :    0.078969
  19 H :    0.078969
Sum of atomic charges:   -0.0000000

--------------------------------
MULLIKEN REDUCED ORBITAL CHARGES
--------------------------------
  0 C s       :     3.136800  s :     3.136800
      pz      :     0.993642  p :     2.867852
      px      :     0.928811
      py      :     0.945398
  1 C s       :     3.136800  s :     3.136800
      pz      :     0.993642  p :     2.867852
      px      :     0.928811
      py      :     0.945398
  2 C s       :     3.150854  s :     3.150854
      pz      :     1.001304  p :     2.925413
      px      :     0.956099
      py      :     0.968011
  3 C s       :     3.150854  s :     3.150854
      pz      :     1.001304  p :     2.925413
      px      :     0.956099
      py      :     0.968011
  4 C s       :     3.148642  s :     3.148642
      pz      :     1.000873  p :     2.928105
      px      :     0.955561
      py      :     0.971670
  5 C s       :     3.148642  s :     3.148642
      pz      :     1.000873  p :     2.928105
      px      :     0.955561
      py      :     0.971670
  6 H s       :     0.922407  s :     0.922407
  7 H s       :     0.922407  s :     0.922407
  8 H s       :     0.920991  s :     0.920991
  9 H s       :     0.920991  s :     0.920991
 10 C s       :     3.153757  s :     3.153757
      pz      :     0.998063  p :     2.922228
      px      :     0.934958
      py      :     0.989208
 11 C s       :     3.153757  s :     3.153757
      pz      :     0.998063  p :     2.922228
      px      :     0.934958
      py      :     0.989208
 12 H s       :     0.923657  s :     0.923657
 13 H s       :     0.923657  s :     0.923657
 14 C s       :     3.168744  s :     3.168744
      pz      :     1.006118  p :     2.985363
      px      :     0.992094
      py      :     0.987151
 15 C s       :     3.168744  s :     3.168744
      pz      :     1.006118  p :     2.985363
      px      :     0.992094
      py      :     0.987151
 16 H s       :     0.924158  s :     0.924158
 17 H s       :     0.924158  s :     0.924158
 18 H s       :     0.921031  s :     0.921031
 19 H s       :     0.921031  s :     0.921031

------------------------
MULLIKEN OVERLAP CHARGES
------------------------
B(  0-C ,  2-C ) :   0.9779 B(  0-C ,  3-C ) :  -0.0541 B(  0-C ,  4-C ) :  -0.0544 
B(  0-C ,  5-C ) :   0.9763 B(  0-C ,  6-H ) :  -0.0503 B(  0-C , 11-C ) :   0.8237 
B(  0-C , 13-H ) :  -0.0518 B(  1-C ,  2-C ) :  -0.0541 B(  1-C ,  3-C ) :   0.9779 
B(  1-C ,  4-C ) :   0.9763 B(  1-C ,  5-C ) :  -0.0544 B(  1-C ,  7-H ) :  -0.0503 
B(  1-C , 10-C ) :   0.8237 B(  1-C , 12-H ) :  -0.0518 B(  2-C ,  4-C ) :   1.0177 
B(  2-C ,  5-C ) :  -0.0610 B(  2-C ,  6-H ) :   0.7758 B(  2-C ,  8-H ) :  -0.0501 
B(  2-C , 11-C ) :  -0.0577 B(  3-C ,  4-C ) :  -0.0610 B(  3-C ,  5-C ) :   1.0177 
B(  3-C ,  7-H ) :   0.7758 B(  3-C ,  9-H ) :  -0.0501 B(  3-C , 10-C ) :  -0.0577 
B(  4-C ,  6-H ) :  -0.0503 B(  4-C ,  8-H ) :   0.7760 B(  5-C ,  7-H ) :  -0.0503 
B(  5-C ,  9-H ) :   0.7760 B( 10-C , 12-H ) :   0.7722 B( 10-C , 14-C ) :   1.1722 
B( 11-C , 13-H ) :   0.7722 B( 11-C , 15-C ) :   1.1722 B( 12-H , 14-C ) :  -0.0556 
B( 13-H , 15-C ) :  -0.0556 B( 14-C , 16-H ) :   0.7718 B( 14-C , 18-H ) :   0.7765 
B( 15-C , 17-H ) :   0.7718 B( 15-C , 19-H ) :   0.7765 


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

----------------------
LOEWDIN ATOMIC CHARGES
----------------------
   0 C :    0.003486
   1 C :    0.003486
   2 C :   -0.043575
   3 C :   -0.043575
   4 C :   -0.043919
   5 C :   -0.043919
   6 H :    0.041923
   7 H :    0.041923
   8 H :    0.043522
   9 H :    0.043522
  10 C :   -0.038740
  11 C :   -0.038740
  12 H :    0.040786
  13 H :    0.040786
  14 C :   -0.091127
  15 C :   -0.091127
  16 H :    0.042841
  17 H :    0.042841
  18 H :    0.044802
  19 H :    0.044802

-------------------------------
LOEWDIN REDUCED ORBITAL CHARGES
-------------------------------
  0 C s       :     3.032296  s :     3.032296
      pz      :     0.992720  p :     2.964218
      px      :     0.974603
      py      :     0.996896
  1 C s       :     3.032296  s :     3.032296
      pz      :     0.992720  p :     2.964218
      px      :     0.974603
      py      :     0.996896
  2 C s       :     3.031729  s :     3.031729
      pz      :     1.001622  p :     3.011845
      px      :     1.005621
      py      :     1.004603
  3 C s       :     3.031729  s :     3.031729
      pz      :     1.001622  p :     3.011845
      px      :     1.005621
      py      :     1.004603
  4 C s       :     3.029393  s :     3.029393
      pz      :     1.001285  p :     3.014526
      px      :     1.005050
      py      :     1.008192
  5 C s       :     3.029393  s :     3.029393
      pz      :     1.001285  p :     3.014526
      px      :     1.005050
      py      :     1.008192
  6 H s       :     0.958077  s :     0.958077
  7 H s       :     0.958077  s :     0.958077
  8 H s       :     0.956478  s :     0.956478
  9 H s       :     0.956478  s :     0.956478
 10 C s       :     3.033471  s :     3.033471
      pz      :     0.997440  p :     3.005268
      px      :     0.982674
      py      :     1.025154
 11 C s       :     3.033471  s :     3.033471
      pz      :     0.997440  p :     3.005268
      px      :     0.982674
      py      :     1.025154
 12 H s       :     0.959214  s :     0.959214
 13 H s       :     0.959214  s :     0.959214
 14 C s       :     3.033012  s :     3.033012
      pz      :     1.006934  p :     3.058115
      px      :     1.024929
      py      :     1.026252
 15 C s       :     3.033012  s :     3.033012
      pz      :     1.006934  p :     3.058115
      px      :     1.024929
      py      :     1.026252
 16 H s       :     0.957159  s :     0.957159
 17 H s       :     0.957159  s :     0.957159
 18 H s       :     0.955198  s :     0.955198
 19 H s       :     0.955198  s :     0.955198

---------------------------------
LOEWDIN BOND ORDERS (THRESH 0.05)
---------------------------------
B(  0-C ,  1-C ) :   0.0987 B(  0-C ,  2-C ) :   1.3768 B(  0-C ,  5-C ) :   1.3785 
B(  0-C , 11-C ) :   1.0836 B(  1-C ,  3-C ) :   1.3768 B(  1-C ,  4-C ) :   1.3785 
B(  1-C , 10-C ) :   1.0836 B(  2-C ,  3-C ) :   0.0989 B(  2-C ,  4-C ) :   1.4781 
B(  2-C ,  6-H ) :   0.9740 B(  3-C ,  5-C ) :   1.4781 B(  3-C ,  7-H ) :   0.9740 
B(  4-C ,  5-C ) :   0.1024 B(  4-C ,  8-H ) :   0.9717 B(  5-C ,  9-H ) :   0.9717 
B( 10-C , 12-H ) :   0.9714 B( 10-C , 14-C ) :   1.9130 B( 11-C , 13-H ) :   0.9714 
B( 11-C , 15-C ) :   1.9130 B( 14-C , 16-H ) :   0.9778 B( 14-C , 18-H ) :   0.9815 
B( 15-C , 17-H ) :   0.9778 B( 15-C , 19-H ) :   0.9815 

------------------------------------------
LOEWDIN REDUCED ORBITAL POPULATIONS PER MO
-------------------------------------------
THRESHOLD FOR PRINTING IS 0.1%
                      0         1         2         3         4         5   
                 -10.01614 -10.01609 -10.00407 -10.00407 -10.00303 -10.00302
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s              49.8      49.8       0.1       0.1       0.0       0.1
 1 C  s              49.8      49.8       0.1       0.1       0.0       0.1
 2 C  s               0.0       0.0       0.0       0.0      20.5      19.6
 3 C  s               0.0       0.0       0.0       0.0      20.5      19.6
 4 C  s               0.0       0.0       0.0       0.0      29.4      30.3
 5 C  s               0.0       0.0       0.0       0.0      29.4      30.3
10 C  s               0.1       0.1      49.8      49.8       0.0       0.0
11 C  s               0.1       0.1      49.8      49.8       0.0       0.0

                      6         7         8         9        10        11   
                 -10.00238 -10.00224  -9.98841  -9.98841  -0.80588  -0.75029
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.1       0.0       0.0      14.5      12.3
 0 C  px              0.0       0.0       0.0       0.0       0.7       0.6
 1 C  s               0.0       0.1       0.0       0.0      14.5      12.3
 1 C  px              0.0       0.0       0.0       0.0       0.7       0.6
 2 C  s              30.3      29.4       0.0       0.0      11.9       1.7
 2 C  px              0.0       0.0       0.0       0.0       0.2       1.3
 2 C  py              0.0       0.0       0.0       0.0       1.2       0.5
 3 C  s              30.3      29.4       0.0       0.0      11.9       1.7
 3 C  px              0.0       0.0       0.0       0.0       0.2       1.3
 3 C  py              0.0       0.0       0.0       0.0       1.2       0.5
 4 C  s              19.6      20.5       0.0       0.0      11.8       2.1
 4 C  px              0.0       0.0       0.0       0.0       0.2       1.3
 4 C  py              0.0       0.0       0.0       0.0       1.2       0.5
 5 C  s              19.6      20.5       0.0       0.0      11.8       2.1
 5 C  px              0.0       0.0       0.0       0.0       0.2       1.3
 5 C  py              0.0       0.0       0.0       0.0       1.2       0.5
 6 H  s               0.0       0.0       0.0       0.0       1.3       0.4
 7 H  s               0.0       0.0       0.0       0.0       1.3       0.4
 8 H  s               0.0       0.0       0.0       0.0       1.3       0.5
 9 H  s               0.0       0.0       0.0       0.0       1.3       0.5
10 C  s               0.0       0.0       0.0       0.0       3.2      14.8
10 C  px              0.0       0.0       0.0       0.0       0.5       0.1
10 C  py              0.0       0.0       0.0       0.0       0.0       0.4
11 C  s               0.0       0.0       0.0       0.0       3.2      14.8
11 C  px              0.0       0.0       0.0       0.0       0.5       0.1
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       0.4       2.3
13 H  s               0.0       0.0       0.0       0.0       0.4       2.3
14 C  s               0.0       0.0      49.9      49.9       0.8       7.5
14 C  px              0.0       0.0       0.0       0.0       0.2       0.7
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       0.8       7.5
15 C  px              0.0       0.0       0.0       0.0       0.2       0.7
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       1.2
17 H  s               0.0       0.0       0.0       0.0       0.1       1.2
18 H  s               0.0       0.0       0.0       0.0       0.1       1.0
19 H  s               0.0       0.0       0.0       0.0       0.1       1.0

                     12        13        14        15        16        17   
                  -0.71419  -0.69628  -0.66367  -0.58491  -0.55554  -0.52782
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.2       9.6       4.4       2.4       0.1
 0 C  px              3.6       0.0       1.0       2.3       0.3       4.5
 0 C  py              0.0       5.8       0.0       3.0       9.0       0.2
 1 C  s               0.0       0.2       9.6       4.4       2.4       0.1
 1 C  px              3.6       0.0       1.0       2.3       0.3       4.5
 1 C  py              0.0       5.8       0.0       3.0       9.0       0.2
 2 C  s               2.2      18.2       1.6       0.0      10.1       2.2
 2 C  px              0.6       1.0       2.3       6.1       0.7       0.0
 2 C  py              0.0       0.1       0.9       0.8       1.6       0.0
 3 C  s               2.2      18.2       1.6       0.0      10.1       2.2
 3 C  px              0.6       1.0       2.3       6.1       0.7       0.0
 3 C  py              0.0       0.1       0.9       0.8       1.6       0.0
 4 C  s               1.8      15.0       5.3       5.6       2.8       0.7
 4 C  px              0.8       1.7       1.1       0.2       8.2       1.6
 4 C  py              0.0       0.3       0.6       1.1       0.7       0.1
 5 C  s               1.8      15.0       5.3       5.6       2.8       0.7
 5 C  px              0.8       1.7       1.1       0.2       8.2       1.6
 5 C  py              0.0       0.3       0.6       1.1       0.7       0.1
 6 H  s               0.2       3.9       0.4       0.1       6.9       0.6
 7 H  s               0.2       3.9       0.4       0.1       6.9       0.6
 8 H  s               0.1       3.3       1.0       3.0       1.7       0.7
 9 H  s               0.1       3.3       1.0       3.0       1.7       0.7
10 C  s              14.9       0.0       2.5       2.7       0.1       8.2
10 C  px              0.8       0.1       4.7       3.5       1.8       0.1
10 C  py              1.0       0.3       1.1       2.8       0.3       3.6
11 C  s              14.9       0.0       2.5       2.7       0.1       8.2
11 C  px              0.8       0.1       4.7       3.5       1.8       0.1
11 C  py              1.0       0.3       1.1       2.8       0.3       3.6
12 H  s               2.6       0.0       0.5       1.7       0.2       6.4
13 H  s               2.6       0.0       0.5       1.7       0.2       6.4
14 C  s              14.8       0.2      12.0       6.2       1.3       5.7
14 C  px              0.6       0.0       0.0       0.3       0.7       1.2
14 C  py              1.1       0.0       0.4       0.6       0.0       4.6
15 C  s              14.8       0.2      12.0       6.2       1.3       5.7
15 C  px              0.6       0.0       0.0       0.3       0.7       1.2
15 C  py              1.1       0.0       0.4       0.6       0.0       4.6
16 H  s               2.4       0.1       2.2       3.0       0.1       5.8
17 H  s               2.4       0.1       2.2       3.0       0.1       5.8
18 H  s               2.5       0.0       3.0       2.6       1.1       3.6
19 H  s               2.5       0.0       3.0       2.6       1.1       3.6

                     18        19        20        21        22        23   
                  -0.50632  -0.45395  -0.43556  -0.40741  -0.39407  -0.39242
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.0       0.9       0.4       3.5       0.4       0.3
 0 C  px              3.7       3.4       2.2       0.0       4.8       0.0
 0 C  py              0.4       0.2       3.6       1.7       5.7       0.0
 1 C  s               2.0       0.9       0.4       3.5       0.4       0.3
 1 C  px              3.7       3.4       2.2       0.0       4.8       0.0
 1 C  py              0.4       0.2       3.6       1.7       5.7       0.0
 2 C  s               0.1       0.3       0.4       1.8       0.0       0.4
 2 C  px              0.7       4.8       6.0       0.1       2.2       1.0
 2 C  py              8.2       2.3       0.0       8.9       0.0       0.0
 3 C  s               0.1       0.3       0.4       1.8       0.0       0.4
 3 C  px              0.7       4.8       6.0       0.1       2.2       1.0
 3 C  py              8.2       2.3       0.0       8.9       0.0       0.0
 4 C  s               2.5       0.2       1.4       1.6       0.1       0.4
 4 C  px              0.0       2.5       2.2       4.1       1.4       2.7
 4 C  py              9.1       2.0       1.1       3.5       9.0       0.6
 5 C  s               2.5       0.2       1.4       1.6       0.1       0.4
 5 C  px              0.0       2.5       2.2       4.1       1.4       2.7
 5 C  py              9.1       2.0       1.1       3.5       9.0       0.6
 6 H  s               2.0       3.2       1.7       7.8       0.2       0.0
 7 H  s               2.0       3.2       1.7       7.8       0.2       0.0
 8 H  s               5.8       1.4       0.6       8.0       2.6       1.9
 9 H  s               5.8       1.4       0.6       8.0       2.6       1.9
10 C  s               2.7       1.2       0.2       0.1       0.0       0.4
10 C  px              0.0       7.4       3.5       2.2       4.5       0.2
10 C  py              1.0       1.5       7.1       0.5       0.7      10.5
11 C  s               2.7       1.2       0.2       0.1       0.0       0.4
11 C  px              0.0       7.4       3.5       2.2       4.5       0.2
11 C  py              1.0       1.5       7.1       0.5       0.7      10.5
12 H  s               2.6       4.1       3.9       0.1       0.0       3.0
13 H  s               2.6       4.1       3.9       0.1       0.0       3.0
14 C  s               2.4       0.3       0.1       0.2       0.0       0.0
14 C  px              1.0       0.4       9.1       2.3       1.2      17.9
14 C  py              1.9       8.4       0.6       1.5       9.4       0.6
15 C  s               2.4       0.3       0.1       0.2       0.0       0.0
15 C  px              1.0       0.4       9.1       2.3       1.2      17.9
15 C  py              1.9       8.4       0.6       1.5       9.4       0.6
16 H  s               1.9       5.6       0.8       0.3       6.8       0.1
17 H  s               1.9       5.6       0.8       0.3       6.8       0.1
18 H  s               2.0       0.1       5.2       1.7       1.0      10.0
19 H  s               2.0       0.1       5.2       1.7       1.0      10.0

                     24        25        26        27        28        29   
                  -0.37081  -0.34739  -0.34344  -0.32081  -0.30743  -0.28936
                   2.00000   2.00000   2.00000   2.00000   2.00000   2.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.5       0.0       0.1       0.0
 0 C  pz              0.0       0.0       0.0      17.2       0.0       0.0
 0 C  px              0.6       3.1       0.0       0.0       8.1       7.2
 0 C  py              1.3       5.2       1.0       0.0       0.3       3.6
 1 C  s               0.0       0.0       0.5       0.0       0.1       0.0
 1 C  pz              0.0       0.0       0.0      17.2       0.0       0.0
 1 C  px              0.6       3.1       0.0       0.0       8.1       7.2
 1 C  py              1.3       5.2       1.0       0.0       0.3       3.6
 2 C  s               0.5       0.3       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              5.6       5.7       3.3       0.0       0.3       7.6
 2 C  py             11.8       2.5       1.5       0.0       0.4       3.7
 3 C  s               0.5       0.3       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              5.6       5.7       3.3       0.0       0.3       7.6
 3 C  py             11.8       2.5       1.5       0.0       0.4       3.7
 4 C  s               0.2       0.0       0.0       0.0       0.1       0.0
 4 C  pz              0.0       0.0       0.0      13.4       0.0       0.0
 4 C  px              5.5       5.6       2.9       0.0       0.1       5.8
 4 C  py              7.6       0.2       0.2       0.0       2.5       1.8
 5 C  s               0.2       0.0       0.0       0.0       0.1       0.0
 5 C  pz              0.0       0.0       0.0      13.4       0.0       0.0
 5 C  px              5.5       5.6       2.9       0.0       0.1       5.8
 5 C  py              7.6       0.2       0.2       0.0       2.5       1.8
 6 H  s               8.5       0.0       3.1       0.0       0.2       0.0
 7 H  s               8.5       0.0       3.1       0.0       0.2       0.0
 8 H  s               6.4       0.3       0.0       0.0       0.3       6.4
 9 H  s               6.4       0.3       0.0       0.0       0.3       6.4
10 C  s               0.0       0.0       0.4       0.0       0.0       0.4
10 C  pz              0.0       0.0       0.0       4.7       0.0       0.0
10 C  px              0.7       3.0       0.3       0.0       5.5       7.9
10 C  py              0.0       7.3       6.8       0.0       4.7       0.0
11 C  s               0.0       0.0       0.4       0.0       0.0       0.4
11 C  pz              0.0       0.0       0.0       4.7       0.0       0.0
11 C  px              0.7       3.0       0.3       0.0       5.5       7.9
11 C  py              0.0       7.3       6.8       0.0       4.7       0.0
12 H  s               0.0       2.8       5.2       0.0       7.8       0.4
13 H  s               0.0       2.8       5.2       0.0       7.8       0.4
14 C  s               0.0       0.1       0.0       0.0       0.0       0.0
14 C  pz              0.0       0.0       0.0       1.3       0.0       0.0
14 C  px              0.1       7.0       1.6       0.0       4.0       2.4
14 C  py              0.9       3.3      11.4       0.0       4.1       0.3
15 C  s               0.0       0.1       0.0       0.0       0.0       0.0
15 C  pz              0.0       0.0       0.0       1.3       0.0       0.0
15 C  px              0.1       7.0       1.6       0.0       4.0       2.4
15 C  py              0.9       3.3      11.4       0.0       4.1       0.3
16 H  s               0.4       0.3       9.0       0.0       6.1       0.3
17 H  s               0.4       0.3       9.0       0.0       6.1       0.3
18 H  s               0.0       3.2       2.5       0.0       5.2       2.0
19 H  s               0.0       3.2       2.5       0.0       5.2       2.0

                     30        31        32        33        34        35   
                  -0.28386  -0.25976  -0.20859  -0.19151  -0.14927   0.04121
                   2.00000   2.00000   2.00000   2.00000   2.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  pz              0.0      16.3       0.0       0.0      16.2      16.2
 0 C  px              2.4       0.0       0.0       0.0       0.0       0.0
 0 C  py              8.9       0.0       0.0       0.0       0.0       0.0
 1 C  pz              0.0      16.3       0.0       0.0      16.2      16.2
 1 C  px              2.4       0.0       0.0       0.0       0.0       0.0
 1 C  py              8.9       0.0       0.0       0.0       0.0       0.0
 2 C  pz              0.0       2.3       3.9      25.3       5.1       4.5
 2 C  px              0.9       0.0       0.0       0.0       0.0       0.0
 2 C  py              5.6       0.0       0.0       0.0       0.0       0.0
 3 C  pz              0.0       2.3       3.9      25.3       5.1       4.5
 3 C  px              0.9       0.0       0.0       0.0       0.0       0.0
 3 C  py              5.6       0.0       0.0       0.0       0.0       0.0
 4 C  pz              0.0       2.3       3.8      24.7       5.8       6.4
 4 C  px              2.3       0.0       0.0       0.0       0.0       0.0
 4 C  py              8.2       0.0       0.0       0.0       0.0       0.0
 5 C  pz              0.0       2.3       3.8      24.7       5.8       6.4
 5 C  px              2.3       0.0       0.0       0.0       0.0       0.0
 5 C  py              8.2       0.0       0.0       0.0       0.0       0.0
 6 H  s               7.3       0.0       0.0       0.0       0.0       0.0
 7 H  s               7.3       0.0       0.0       0.0       0.0       0.0
 8 H  s               2.5       0.0       0.0       0.0       0.0       0.0
 9 H  s               2.5       0.0       0.0       0.0       0.0       0.0
10 C  pz              0.0      19.1      20.8       0.0       5.4       5.6
10 C  px              2.3       0.0       0.0       0.0       0.0       0.0
10 C  py              1.7       0.0       0.0       0.0       0.0       0.0
11 C  pz              0.0      19.1      20.8       0.0       5.4       5.6
11 C  px              2.3       0.0       0.0       0.0       0.0       0.0
11 C  py              1.7       0.0       0.0       0.0       0.0       0.0
12 H  s               3.7       0.0       0.0       0.0       0.0       0.0
13 H  s               3.7       0.0       0.0       0.0       0.0       0.0
14 C  pz              0.0      10.0      21.5       0.0      17.6      17.2
14 C  px              0.4       0.0       0.0       0.0       0.0       0.0
14 C  py              1.3       0.0       0.0       0.0       0.0       0.0
15 C  pz              0.0      10.0      21.5       0.0      17.6      17.2
15 C  px              0.4       0.0       0.0       0.0       0.0       0.0
15 C  py              1.3       0.0       0.0       0.0       0.0       0.0
16 H  s               1.4       0.0       0.0       0.0       0.0       0.0
17 H  s               1.4       0.0       0.0       0.0       0.0       0.0
18 H  s               0.9       0.0       0.0       0.0       0.0       0.0
19 H  s               0.9       0.0       0.0       0.0       0.0       0.0

                     36        37        38        39        40        41   
                   0.09384   0.11444   0.18591   0.27604   0.33608   0.34418
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               0.0       0.0       0.0       0.0       4.4       1.0
 0 C  pz              0.1       0.0      16.5      17.5       0.0       0.0
 0 C  px              0.0       0.0       0.0       0.0       3.5       1.6
 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       4.4       1.0
 1 C  pz              0.1       0.0      16.5      17.5       0.0       0.0
 1 C  px              0.0       0.0       0.0       0.0       3.5       1.6
 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       1.0       0.0
 2 C  pz             26.2       4.3       1.9      12.9       0.0       0.0
 2 C  px              0.0       0.0       0.0       0.0       0.4       0.2
 2 C  py              0.0       0.0       0.0       0.0       3.4       5.2
 3 C  s               0.0       0.0       0.0       0.0       1.0       0.0
 3 C  pz             26.2       4.3       1.9      12.9       0.0       0.0
 3 C  px              0.0       0.0       0.0       0.0       0.4       0.2
 3 C  py              0.0       0.0       0.0       0.0       3.4       5.2
 4 C  s               0.0       0.0       0.0       0.0       2.2       0.2
 4 C  pz             23.7       4.0       2.7      13.1       0.0       0.0
 4 C  px              0.0       0.0       0.0       0.0       0.3       0.2
 4 C  py              0.0       0.0       0.0       0.0       1.9       3.7
 5 C  s               0.0       0.0       0.0       0.0       2.2       0.2
 5 C  pz             23.7       4.0       2.7      13.1       0.0       0.0
 5 C  px              0.0       0.0       0.0       0.0       0.3       0.2
 5 C  py              0.0       0.0       0.0       0.0       1.9       3.7
 6 H  s               0.0       0.0       0.0       0.0       6.7       4.3
 7 H  s               0.0       0.0       0.0       0.0       6.7       4.3
 8 H  s               0.0       0.0       0.0       0.0       6.9       3.0
 9 H  s               0.0       0.0       0.0       0.0       6.9       3.0
10 C  s               0.0       0.0       0.0       0.0       1.8       0.0
10 C  pz              0.0      20.6      19.0       4.9       0.0       0.0
10 C  px              0.0       0.0       0.0       0.0       6.5       3.3
10 C  py              0.0       0.0       0.0       0.0       1.4       4.0
11 C  s               0.0       0.0       0.0       0.0       1.8       0.0
11 C  pz              0.0      20.6      19.0       4.9       0.0       0.0
11 C  px              0.0       0.0       0.0       0.0       6.5       3.3
11 C  py              0.0       0.0       0.0       0.0       1.4       4.0
12 H  s               0.0       0.0       0.0       0.0       1.0       7.7
13 H  s               0.0       0.0       0.0       0.0       1.0       7.7
14 C  s               0.0       0.0       0.0       0.0       1.2       0.0
14 C  pz              0.0      21.0      10.0       1.5       0.0       0.0
14 C  px              0.0       0.0       0.0       0.0       1.4       2.0
14 C  py              0.0       0.0       0.0       0.0       0.5       3.2
15 C  s               0.0       0.0       0.0       0.0       1.2       0.0
15 C  pz              0.0      21.0      10.0       1.5       0.0       0.0
15 C  px              0.0       0.0       0.0       0.0       1.4       2.0
15 C  py              0.0       0.0       0.0       0.0       0.5       3.2
16 H  s               0.0       0.0       0.0       0.0       0.5       4.3
17 H  s               0.0       0.0       0.0       0.0       0.5       4.3
18 H  s               0.0       0.0       0.0       0.0       5.0       3.2
19 H  s               0.0       0.0       0.0       0.0       5.0       3.2

                     42        43        44        45        46        47   
                   0.38319   0.38481   0.41397   0.41485   0.42940   0.44304
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.5       0.4       2.2       4.3       0.4      12.3
 0 C  px              8.2       0.1       0.5       0.0       2.4       0.0
 0 C  py              1.4       0.5       2.7       0.5       0.3       0.0
 1 C  s               2.5       0.4       2.2       4.3       0.4      12.3
 1 C  px              8.2       0.1       0.5       0.0       2.4       0.0
 1 C  py              1.4       0.5       2.7       0.5       0.3       0.0
 2 C  s               0.4       3.6       4.3       3.6       2.8       5.2
 2 C  px              1.9       0.6       0.7       0.0       5.2       2.6
 2 C  py              1.3       0.0       0.2       0.5       2.7       0.0
 3 C  s               0.4       3.6       4.3       3.6       2.8       5.2
 3 C  px              1.9       0.6       0.7       0.0       5.2       2.6
 3 C  py              1.3       0.0       0.2       0.5       2.7       0.0
 4 C  s               0.0       0.4       8.0       7.6       0.0       3.6
 4 C  px              3.2       1.0       0.0       0.8       1.0       2.5
 4 C  py              3.9       1.8       0.0       0.1       1.4       1.3
 5 C  s               0.0       0.4       8.0       7.6       0.0       3.6
 5 C  px              3.2       1.0       0.0       0.8       1.0       2.5
 5 C  py              3.9       1.8       0.0       0.1       1.4       1.3
 6 H  s               0.5       2.9       1.6       3.5      12.7       3.4
 7 H  s               0.5       2.9       1.6       3.5      12.7       3.4
 8 H  s               6.4       3.3       1.5       4.1       0.1       1.1
 9 H  s               6.4       3.3       1.5       4.1       0.1       1.1
10 C  s               6.7       3.3       0.7       1.7       4.7       5.9
10 C  px              5.3       0.6       1.4       0.6       0.0       0.2
10 C  py              0.0       4.4       1.0       1.2       2.0       0.8
11 C  s               6.7       3.3       0.7       1.7       4.7       5.9
11 C  px              5.3       0.6       1.4       0.6       0.0       0.2
11 C  py              0.0       4.4       1.0       1.2       2.0       0.8
12 H  s               0.7      12.3       1.0       1.5       6.4       4.3
13 H  s               0.7      12.3       1.0       1.5       6.4       4.3
14 C  s               1.7       0.2       9.5       6.8       0.5       3.2
14 C  px              1.2       3.2       0.0       0.3       3.3       0.2
14 C  py              0.1       3.1       2.4       2.8       0.0       0.0
15 C  s               1.7       0.2       9.5       6.8       0.5       3.2
15 C  px              1.2       3.2       0.0       0.3       3.3       0.2
15 C  py              0.1       3.1       2.4       2.8       0.0       0.0
16 H  s               0.0       5.9       8.9       6.8       0.1       1.4
17 H  s               0.0       5.9       8.9       6.8       0.1       1.4
18 H  s               4.5       2.5       3.3       3.3       4.0       2.2
19 H  s               4.5       2.5       3.3       3.3       4.0       2.2

                     48        49        50        51        52        53   
                   0.45744   0.48203   0.52926   0.55002   0.58007   0.60208
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               2.3       1.1       4.1       0.0       0.0       3.7
 0 C  px              0.3       0.0      12.9       0.0       0.2       0.0
 0 C  py              1.1       3.8       0.0      10.3       1.3       1.9
 1 C  s               2.3       1.1       4.1       0.0       0.0       3.7
 1 C  px              0.3       0.0      12.9       0.0       0.2       0.0
 1 C  py              1.1       3.8       0.0      10.3       1.3       1.9
 2 C  s               2.4       9.8       0.1       8.8       0.0       1.1
 2 C  px              0.5       0.5       0.2       0.4       2.7      14.2
 2 C  py              1.0       0.2       7.6       0.0       8.4       3.5
 3 C  s               2.4       9.8       0.1       8.8       0.0       1.1
 3 C  px              0.5       0.5       0.2       0.4       2.7      14.2
 3 C  py              1.0       0.2       7.6       0.0       8.4       3.5
 4 C  s               3.1       7.7       1.9       1.5       0.0       7.2
 4 C  px              0.5       1.1       0.0       8.2       3.2       6.2
 4 C  py              1.6       0.4       3.5       0.5      11.4       2.1
 5 C  s               3.1       7.7       1.9       1.5       0.0       7.2
 5 C  px              0.5       1.1       0.0       8.2       3.2       6.2
 5 C  py              1.6       0.4       3.5       0.5      11.4       2.1
 6 H  s               0.2       1.3       2.2       2.5       6.3       0.1
 7 H  s               0.2       1.3       2.2       2.5       6.3       0.1
 8 H  s               7.5       3.2       0.2       1.3       8.4       1.7
 9 H  s               7.5       3.2       0.2       1.3       8.4       1.7
10 C  s               3.2       1.1       5.2       0.8       2.2       3.1
10 C  px              0.5       0.1       0.0       0.0       0.5       0.2
10 C  py              0.2       0.0       0.8       2.5       0.6       0.1
11 C  s               3.2       1.1       5.2       0.8       2.2       3.1
11 C  px              0.5       0.1       0.0       0.0       0.5       0.2
11 C  py              0.2       0.0       0.8       2.5       0.6       0.1
12 H  s               2.9       0.1       2.7       0.8       0.2       1.5
13 H  s               2.9       0.1       2.7       0.8       0.2       1.5
14 C  s              10.1       3.7       0.2       0.1       1.4       0.0
14 C  px              0.0       4.6       1.3       7.9       1.9       0.1
14 C  py              1.0       1.3       3.2       0.1       0.4       2.3
15 C  s              10.1       3.7       0.2       0.1       1.4       0.0
15 C  px              0.0       4.6       1.3       7.9       1.9       0.1
15 C  py              1.0       1.3       3.2       0.1       0.4       2.3
16 H  s               8.7       2.6       1.8       0.3       0.5       1.3
17 H  s               8.7       2.6       1.8       0.3       0.5       1.3
18 H  s               3.2       7.3       2.0       4.2       0.2       0.0
19 H  s               3.2       7.3       2.0       4.2       0.2       0.0

                     54        55        56        57        58        59   
                   0.62854   0.64348   0.68646   0.72098   0.78271   0.79795
                   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
                  --------  --------  --------  --------  --------  --------
 0 C  s               7.3       0.1       0.3       0.4       0.0       1.5
 0 C  px              0.0       4.6       4.3       0.1       0.2      12.4
 0 C  py              1.4       0.2       1.3       6.3      14.1       0.1
 1 C  s               7.3       0.1       0.3       0.4       0.0       1.5
 1 C  px              0.0       4.6       4.3       0.1       0.2      12.4
 1 C  py              1.4       0.2       1.3       6.3      14.1       0.1
 2 C  s               0.2       0.7       0.3       2.0       0.0       2.1
 2 C  px              0.1       5.5       4.2       0.2       6.9       2.8
 2 C  py              1.9       1.1       1.0       1.3       3.0       7.3
 3 C  s               0.2       0.7       0.3       2.0       0.0       2.1
 3 C  px              0.1       5.5       4.2       0.2       6.9       2.8
 3 C  py              1.9       1.1       1.0       1.3       3.0       7.3
 4 C  s               0.9       0.8       0.3       0.6       0.0       2.6
 4 C  px              1.8       3.4       5.8       1.3       6.7       2.5
 4 C  py              3.2       0.5       0.3       0.0       3.9       8.3
 5 C  s               0.9       0.8       0.3       0.6       0.0       2.6
 5 C  px              1.8       3.4       5.8       1.3       6.7       2.5
 5 C  py              3.2       0.5       0.3       0.0       3.9       8.3
 6 H  s               0.6       1.4       0.0       0.0       0.0       2.1
 7 H  s               0.6       1.4       0.0       0.0       0.0       2.1
 8 H  s               0.0       0.1       1.1       0.2       0.0       2.2
 9 H  s               0.0       0.1       1.1       0.2       0.0       2.2
10 C  s               0.6       1.5       1.6       3.4       0.7       0.2
10 C  px              8.5       2.5      12.1       3.3       1.5       3.9
10 C  py              1.8       8.2       1.2      12.6       6.0       0.0
11 C  s               0.6       1.5       1.6       3.4       0.7       0.2
11 C  px              8.5       2.5      12.1       3.3       1.5       3.9
11 C  py              1.8       8.2       1.2      12.6       6.0       0.0
12 H  s               3.5       3.2       0.5       1.0       0.7       0.1
13 H  s               3.5       3.2       0.5       1.0       0.7       0.1
14 C  s               0.3       0.8       2.2       4.6       1.7       0.1
14 C  px              3.5       9.5       0.2       6.1       2.0       0.0
14 C  py              7.3       0.3      10.7       6.2       2.4       1.3
15 C  s               0.3       0.8       2.2       4.6       1.7       0.1
15 C  px              3.5       9.5       0.2       6.1       2.0       0.0
15 C  py              7.3       0.3      10.7       6.2       2.4       1.3
16 H  s               4.0       2.3       2.2       0.0       0.1       0.5
17 H  s               4.0       2.3       2.2       0.0       0.1       0.5
18 H  s               3.3       3.4       0.3       0.4       0.1       0.1
19 H  s               3.3       3.4       0.3       0.4       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      6.0047     6.0000    -0.0047     3.9731     3.9731    -0.0000
  1 C      6.0047     6.0000    -0.0047     3.9731     3.9731     0.0000
  2 C      6.0763     6.0000    -0.0763     3.9693     3.9693    -0.0000
  3 C      6.0763     6.0000    -0.0763     3.9693     3.9693     0.0000
  4 C      6.0767     6.0000    -0.0767     3.9701     3.9701     0.0000
  5 C      6.0767     6.0000    -0.0767     3.9701     3.9701    -0.0000
  6 H      0.9224     1.0000     0.0776     0.9940     0.9940     0.0000
  7 H      0.9224     1.0000     0.0776     0.9940     0.9940     0.0000
  8 H      0.9210     1.0000     0.0790     0.9938     0.9938     0.0000
  9 H      0.9210     1.0000     0.0790     0.9938     0.9938    -0.0000
 10 C      6.0760     6.0000    -0.0760     3.9682     3.9682     0.0000
 11 C      6.0760     6.0000    -0.0760     3.9682     3.9682    -0.0000
 12 H      0.9237     1.0000     0.0763     0.9942     0.9942     0.0000
 13 H      0.9237     1.0000     0.0763     0.9942     0.9942    -0.0000
 14 C      6.1541     6.0000    -0.1541     3.9649     3.9649     0.0000
 15 C      6.1541     6.0000    -0.1541     3.9649     3.9649    -0.0000
 16 H      0.9242     1.0000     0.0758     0.9942     0.9942     0.0000
 17 H      0.9242     1.0000     0.0758     0.9942     0.9942    -0.0000
 18 H      0.9210     1.0000     0.0790     0.9938     0.9938    -0.0000
 19 H      0.9210     1.0000     0.0790     0.9938     0.9938     0.0000

  Mayer bond orders larger than 0.1
B(  0-C ,  2-C ) :   1.3631 B(  0-C ,  5-C ) :   1.3652 B(  0-C , 11-C ) :   1.0665 
B(  1-C ,  3-C ) :   1.3631 B(  1-C ,  4-C ) :   1.3652 B(  1-C , 10-C ) :   1.0665 
B(  2-C ,  4-C ) :   1.4652 B(  2-C ,  6-H ) :   0.9614 B(  3-C ,  5-C ) :   1.4652 
B(  3-C ,  7-H ) :   0.9614 B(  4-C ,  5-C ) :   0.1022 B(  4-C ,  8-H ) :   0.9595 
B(  5-C ,  9-H ) :   0.9595 B( 10-C , 12-H ) :   0.9592 B( 10-C , 14-C ) :   1.9013 
B( 11-C , 13-H ) :   0.9592 B( 11-C , 15-C ) :   1.9013 B( 14-C , 16-H ) :   0.9664 
B( 14-C , 18-H ) :   0.9693 B( 15-C , 17-H ) :   0.9664 B( 15-C , 19-H ) :   0.9693 


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

Total SCF time: 0 days 0 hours 0 min 16 sec 

Total time                  ....      16.818 sec
Sum of individual times     ....      16.800 sec  ( 99.9%)

Fock matrix formation       ....      14.442 sec  ( 85.9%)
  XC integration            ....       2.821 sec  ( 19.5% of F)
    Basis function eval.    ....       1.556 sec  ( 55.2% of XC)
    Density eval.           ....       0.401 sec  ( 14.2% of XC)
    XC-Functional eval.     ....       0.407 sec  ( 14.4% of XC)
    XC-Potential eval.      ....       0.382 sec  ( 13.5% of XC)
Diagonalization             ....       0.006 sec  (  0.0%)
Density matrix formation    ....       0.001 sec  (  0.0%)
Population analysis         ....       0.009 sec  (  0.1%)
Initial guess               ....       0.438 sec  (  2.6%)
Orbital Transformation      ....       0.000 sec  (  0.0%)
Orbital Orthonormalization  ....       0.000 sec  (  0.0%)
DIIS solution               ....       0.001 sec  (  0.0%)
SOSCF solution              ....       0.014 sec  (  0.1%)
Grid generation             ....       1.889 sec  ( 11.2%)

-------------------------   --------------------
FINAL SINGLE POINT ENERGY      -382.050758039645
-------------------------   --------------------


                            ***************************************
                            *     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.gbw
Electron density file                           ... dvb_sp.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         ...       17.130 sec (=   0.285 min)
GTO integral calculation        ...        0.300 sec (=   0.005 min)   1.7 %
SCF iterations                  ...       16.830 sec (=   0.281 min)  98.3 %
                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 0 minutes 17 seconds 284 msec