----- GAMESS execution script 'rungms' -----
This job is running on host firzens
under operating system Linux at Mon Aug 14 12:36:38 IST 2017
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem     1K-blocks      Used Available Use% Mounted on
/dev/sda11     254243428 112983588 128321960  47% /
GAMESS temporary binary files will be written to /scr/sagar
GAMESS supplementary output files will be written to /home/sagar/gamess/scratch
Copying input file nh3_ts_ir.inp to your run's scratch directory...
 
Assuming a single but multicore node.
 

 Distributed Data Interface kickoff program.
 Initiating 4 compute processes on 1 nodes to run the following command:
 /home/sagar/gamess/gamess.02.x nh3_ts_ir 

          ******************************************************
          *         GAMESS VERSION = 20 APR 2017 (R1)          *
          *             FROM IOWA STATE UNIVERSITY             *
          * M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, S.T.ELBERT, *
          *   M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA,   *
          *          K.A.NGUYEN, S.J.SU, T.L.WINDUS,           *
          *       TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY       *
          *         J.COMPUT.CHEM.  14, 1347-1363(1993)        *
          **************** 64 BIT LINUX VERSION ****************

  SINCE 1993, STUDENTS AND POSTDOCS WORKING AT IOWA STATE UNIVERSITY
  AND ALSO IN THEIR VARIOUS JOBS AFTER LEAVING ISU HAVE MADE IMPORTANT
  CONTRIBUTIONS TO THE CODE:
     IVANA ADAMOVIC, CHRISTINE AIKENS, YURI ALEXEEV, POOJA ARORA,
     ANDREY ASADCHEV, ROB BELL, PRADIPTA BANDYOPADHYAY, JONATHAN BENTZ,
     BRETT BODE, KURT BRORSEN, CALEB CARLIN, GALINA CHABAN, WEI CHEN,
     CHEOL HO CHOI, PAUL DAY, ALBERT DEFUSCO, NUWAN DESILVA, TIM DUDLEY,
     DMITRI FEDOROV, GRAHAM FLETCHER, MARK FREITAG, KURT GLAESEMANN,
     DAN KEMP, GRANT MERRILL, NORIYUKI MINEZAWA, JONATHAN MULLIN,
     TAKESHI NAGATA, SEAN NEDD, HEATHER NETZLOFF, BOSILJKA NJEGIC, RYAN OLSON,
     MIKE PAK, SPENCER PRUITT, LUKE ROSKOP, JIM SHOEMAKER, LYUDMILA SLIPCHENKO,
     TONY SMITH, SAROM SOK LEANG, JIE SONG, TETSUYA TAKETSUGU, SIMON WEBB,
     PENG XU, SOOHAENG YOO, FEDERICO ZAHARIEV

  ADDITIONAL CODE HAS BEEN PROVIDED BY COLLABORATORS IN OTHER GROUPS:
     IOWA STATE UNIVERSITY:
          JOE IVANIC, AARON WEST, LAIMUTIS BYTAUTAS, KLAUS RUEDENBERG
     UNIVERSITY OF TOKYO: KIMIHIKO HIRAO, TAKAHITO NAKAJIMA,
          TAKAO TSUNEDA, MUNEAKI KAMIYA, SUSUMU YANAGISAWA,
          KIYOSHI YAGI, MAHITO CHIBA, SEIKEN TOKURA, NAOAKI KAWAKAMI
     UNIVERSITY OF AARHUS: FRANK JENSEN
     UNIVERSITY OF IOWA: VISVALDAS KAIRYS, HUI LI
     NATIONAL INST. OF STANDARDS AND TECHNOLOGY: WALT STEVENS, DAVID GARMER
     UNIVERSITY OF PISA: BENEDETTA MENNUCCI, JACOPO TOMASI
     UNIVERSITY OF MEMPHIS: HENRY KURTZ, PRAKASHAN KORAMBATH
     UNIVERSITY OF ALBERTA: TOBY ZENG, MARIUSZ KLOBUKOWSKI
     UNIVERSITY OF NEW ENGLAND: MARK SPACKMAN
     MIE UNIVERSITY: HIROAKI UMEDA
     NAT. INST. OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY: KAZUO KITAURA
     MICHIGAN STATE UNIVERSITY:
          KAROL KOWALSKI, MARTA WLOCH, JEFFREY GOUR, JESSE LUTZ,
          WEI LI, PIOTR PIECUCH
     UNIVERSITY OF SILESIA: MONIKA MUSIAL, STANISLAW KUCHARSKI
     FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX:
          OLIVIER QUINET, BENOIT CHAMPAGNE
     UNIVERSITY OF CALIFORNIA - SANTA BARBARA: BERNARD KIRTMAN
     INSTITUTE FOR MOLECULAR SCIENCE:
          KAZUYA ISHIMURA, MICHIO KATOUDA, AND SHIGERU NAGASE
     UNIVERSITY OF NOTRE DAME: ANNA POMOGAEVA, DAN CHIPMAN
     KYUSHU UNIVERSITY:
          HARUYUKI NAKANO,
          FENG LONG GU, JACEK KORCHOWIEC, MARCIN MAKOWSKI, AND YURIKO AOKI,
          HIROTOSHI MORI AND EISAKU MIYOSHI
     PENNSYLVANIA STATE UNIVERSITY:
          TZVETELIN IORDANOV, CHET SWALINA, JONATHAN SKONE,
          SHARON HAMMES-SCHIFFER
     WASEDA UNIVERSITY:
          MASATO KOBAYASHI, TOMOKO AKAMA, TSUGUKI TOUMA,
          TAKESHI YOSHIKAWA, YASUHIRO IKABATA, JUNJI SEINO,
          YUYA NAKAJIMA, HIROMI NAKAI
     NANJING UNIVERSITY: SHUHUA LI
     UNIVERSITY OF NEBRASKA:
          PEIFENG SU, DEJUN SI, NANDUN THELLAMUREGE, YALI WANG, HUI LI
     UNIVERSITY OF ZURICH: ROBERTO PEVERATI, KIM BALDRIDGE
     N. COPERNICUS UNIVERSITY AND JACKSON STATE UNIVERSITY:
          MARIA BARYSZ
     UNIVERSITY OF COPENHAGEN: Jimmy Kromann, CASPER STEINMANN
     TOKYO INSTITUTE OF TECHNOLOGY: HIROYA NAKATA
     NAGOYA UNIVERSITY: YOSHIO NISHIMOTO, STEPHAN IRLE
     MOSCOW STATE UNIVERSITY: VLADIMIR MIRONOV


 PARALLEL VERSION RUNNING ON        4 PROCESSORS IN        1 NODES.

 EXECUTION OF GAMESS BEGUN Mon Aug 14 12:36:38 2017

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=HESSIAN AIMPAC=.t. $END                              
 INPUT CARD> $SYSTEM timlim=1 $END                                                          
 INPUT CARD> $BASIS  GBASIS=AM1 $END                                                        
 INPUT CARD> $DATA                                                                          
 INPUT CARD>ammonia...at the planar transition state                                        
 INPUT CARD>C1                                                                              
 INPUT CARD>N    7.0   0.0000000000   0.0000000000   0.0000000000                           
 INPUT CARD>H    1.0  -0.4882960784   0.8457536168   0.0000000000                           
 INPUT CARD>H    1.0  -0.4882960784  -0.8457536168   0.0000000000                           
 INPUT CARD>H    1.0   0.9765921567   0.0000000000   0.0000000000                           
 INPUT CARD> $END                                                                           
    1000000 WORDS OF MEMORY AVAILABLE

     BASIS OPTIONS
     -------------
     GBASIS=AM1          IGAUSS=       0      POLAR=NONE    
     NDFUNC=       0     NFFUNC=       0     DIFFSP=       F
     NPFUNC=       0      DIFFS=       F     BASNAM=        


     RUN TITLE
     ---------
 ammonia...at the planar transition state                                        

 THE POINT GROUP OF THE MOLECULE IS C1      
 THE ORDER OF THE PRINCIPAL AXIS IS     0

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 N           7.0     0.0000000000        0.0000000000        0.0000000000
 H           1.0    -0.9227457891        1.5982425889        0.0000000000
 H           1.0    -0.9227457891       -1.5982425889        0.0000000000
 H           1.0     1.8454915779        0.0000000000        0.0000000000

          INTERNUCLEAR DISTANCES (ANGS.)
          ------------------------------

                1 N          2 H          3 H          4 H     

   1 N       0.0000000    0.9765922 *  0.9765922 *  0.9765922 *
   2 H       0.9765922 *  0.0000000    1.6915072 *  1.6915072 *
   3 H       0.9765922 *  1.6915072 *  0.0000000    1.6915072 *
   4 H       0.9765922 *  1.6915072 *  1.6915072 *  0.0000000  

  * ... LESS THAN  3.000


 TOTAL NUMBER OF BASIS SET SHELLS             =    4
 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS =    7
 NUMBER OF ELECTRONS                          =    8
 CHARGE OF MOLECULE                           =    0
 SPIN MULTIPLICITY                            =    1
 NUMBER OF OCCUPIED ORBITALS (ALPHA)          =    4
 NUMBER OF OCCUPIED ORBITALS (BETA )          =    4
 TOTAL NUMBER OF ATOMS                        =    4
 THE NUCLEAR REPULSION ENERGY IS       12.3176128678

 THE PARAMETERS USED IN THIS CALCULATION ARE DESCRIBED IN:

  H: (AM1): M.J.S. DEWAR ET AL, J. AM. CHEM. SOC. 107 3902-3909 (1985)          
  N: (AM1): M.J.S. DEWAR ET AL, J. AM. CHEM. SOC. 107 3902-3909 (1985)          

 THERE ARE    1 HEAVY AND    3 LIGHT ATOMS,
 YIELDING A TOTAL OF        33 MOPAC 2E- INTEGRALS.

     $CONTRL OPTIONS
     ---------------
 SCFTYP=RHF          RUNTYP=HESSIAN      EXETYP=RUN     
 MPLEVL=       0     CITYP =NONE         CCTYP =NONE         VBTYP =NONE    
 DFTTYP=NONE         TDDFT =NONE    
 MULT  =       1     ICHARG=       0     NZVAR =       0     COORD =UNIQUE  
 PP    =NONE         RELWFN=NONE         LOCAL =NONE         NUMGRD=       F
 ISPHER=      -1     NOSYM =       0     MAXIT =      30     UNITS =ANGS    
 PLTORB=       F     MOLPLT=       F     AIMPAC=       T     FRIEND=        
 NPRINT=       7     IREST =       0     GEOM  =INPUT   
 NORMF =       0     NORMP =       0     ITOL  =      20     ICUT  =       9
 INTTYP=BEST         GRDTYP=BEST         QMTTOL= 1.0E-06

     $SYSTEM OPTIONS
     ---------------
  REPLICATED MEMORY=     1000000 WORDS (ON EVERY NODE).
 DISTRIBUTED MEMDDI=           0 MILLION WORDS IN AGGREGATE,
 MEMDDI DISTRIBUTED OVER   4 PROCESSORS IS           0 WORDS/PROCESSOR.
 TOTAL MEMORY REQUESTED ON EACH PROCESSOR=     1000000 WORDS.
 TIMLIM=           1.00 MINUTES, OR       0.0 DAYS.
 PARALL= T  BALTYP=  DLB     KDIAG=    0  COREFL= F
 MXSEQ2=     300 MXSEQ3=     150  mem10=         0

          ----------------
          PROPERTIES INPUT
          ----------------

     MOMENTS            FIELD           POTENTIAL          DENSITY
 IEMOM =       1   IEFLD =       0   IEPOT =       0   IEDEN =       0
 WHERE =COMASS     WHERE =NUCLEI     WHERE =NUCLEI     WHERE =NUCLEI  
 OUTPUT=BOTH       OUTPUT=BOTH       OUTPUT=BOTH       OUTPUT=BOTH    
 IEMINT=       0   IEFINT=       0                     IEDINT=       0
                                                       MORB  =       0
          EXTRAPOLATION IN EFFECT
 ORBITAL PRINTING OPTION: NPREO=     1     7     2     1

     -------------------------------
     INTEGRAL TRANSFORMATION OPTIONS
     -------------------------------
     NWORD  =            0
     CUTOFF = 1.0E-09     MPTRAN =       0
     DIRTRF =       F     AOINTS =DUP     

          ----------------------
          INTEGRAL INPUT OPTIONS
          ----------------------
 NOPK  =       1 NORDER=       0 SCHWRZ=       F

     ------------------------------------------
     THE POINT GROUP IS C1 , NAXIS= 0, ORDER= 1
     ------------------------------------------

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A   =    7

 ..... DONE SETTING UP THE RUN .....
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS   0.00%

     ---------------------------------
     HESSIAN MATRIX CONTROL PARAMETERS
     ---------------------------------
     METHOD=SEMINUM    NVIB  =       2   VIBSIZ= 0.01000
     RDHESS=       F   PURIFY=       F   PRTIFC=       F
     VIBANL=       T   DECOMP=       F   PROJCT=       F
     SCLFAC= 1.00000   PRTSCN=       F   NPRT  =       0
     PULCOR=       F   NPUN  =       0   REDOVB=       T
     HSSTYP=GENERAL 
     THERMOCHEMISTRY WILL BE PRINTED FOR    1 TEMPERATURES:
      298.15000
1   ATOM  0
                                        -------------------
   COORD  0                             NUCLEAR COORDINATES
                                        -------------------
     VIB  0

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

          ********************
          1 ELECTRON INTEGRALS
          ********************

          **************************
          1 AND 2 ELECTRON INTEGRALS
          **************************

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS   0.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS   0.00%

          -------------
          GUESS OPTIONS
          -------------
          GUESS =HUCKEL            NORB  =       0          NORDER=       0
          MIX   =       F          PRTMO =       F          PUNMO =       F
          TOLZ  = 1.0E-08          TOLE  = 1.0E-05
          SYMDEN=       F          PURIFY=       F

 INITIAL GUESS ORBITALS GENERATED BY HUCKEL   ROUTINE.

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.   BOTH SET(S).
     4 ORBITALS ARE OCCUPIED (    0 CORE ORBITALS).
     1=A        2=A        3=A        4=A        5=A        6=A        7=A   
 ...... END OF INITIAL ORBITAL SELECTION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS   0.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------

     NUCLEAR ENERGY =         6.9005995655
     MAXIT =   30     NPUNCH=    2
     EXTRAP=T  DAMP=F  SHIFT=F  RSTRCT=F  DIIS=F  DEM=F  SOSCF=F
     DENSITY MATRIX CONV=  1.00E-05
     MEMORY REQUIRED FOR RHF ITERS=       538 WORDS.

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.0224221816    -9.0224221816   0.310702892   0.000000000
   2  1  0       -9.1223308115    -0.0999086299   0.064202254   0.000000000
   3  2  0       -9.1282370096    -0.0059061980   0.013946184   0.000000000
   4  3  0       -9.1286552210    -0.0004182115   0.004857838   0.000000000
   5  0  0       -9.1286916880    -0.0000364670   0.002704712   0.000000000
   6  1  0       -9.1286961082    -0.0000044202   0.000007350   0.000000000
   7  2  0       -9.1286961082    -0.0000000001   0.000002746   0.000000000
   8  3  0       -9.1286961082    -0.0000000000   0.000001024   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286961082 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.04162 KCAL/MOL


          ------------
          EIGENVECTORS
          ------------

                      1          2          3          4          5
                   -1.1849    -0.5938    -0.5938    -0.3515     0.1528
                     A          A          A          A          A   
    1  N  1  S    0.844456   0.000000  -0.000000  -0.000000   0.535625
    2  N  1  X   -0.000000   0.735233   0.000000   0.000000   0.000000
    3  N  1  Y    0.000000  -0.000000   0.735233  -0.000000   0.000000
    4  N  1  Z    0.000000  -0.000000  -0.000000   1.000000   0.000000
    5  H  2  S    0.309243  -0.276717   0.479287  -0.000000  -0.487547
    6  H  3  S    0.309243  -0.276716  -0.479287   0.000000  -0.487547
    7  H  4  S    0.309243   0.553433   0.000000   0.000000  -0.487547

                      6          7
                    0.2654     0.2654
                     A          A   
    1  N  1  S   -0.000000  -0.000000
    2  N  1  X   -0.000004   0.677814
    3  N  1  Y    0.677814   0.000004
    4  N  1  Z   -0.000000  -0.000000
    5  H  2  S   -0.519890   0.300155
    6  H  3  S    0.519886   0.300161
    7  H  4  S    0.000004  -0.600315
 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS   0.00%

     ----------------------------------------------------------------
     PROPERTY VALUES FOR THE RHF   SELF-CONSISTENT FIELD WAVEFUNCTION
     ----------------------------------------------------------------

                    -------------
                    MOPAC CHARGES
                    -------------
         ATOM NO.   TYPE          CHARGE        ATOM  ELECTRON DENSITY
           1         N             -0.5885          5.5885
           2         H              0.1962          0.8038
           3         H              0.1962          0.8038
           4         H              0.1962          0.8038

          ---------------------
          ELECTROSTATIC MOMENTS
          ---------------------

 POINT   1           X           Y           Z (ANGS)      CHARGE
                 0.000000    0.000000    0.000000        0.00 (A.U.)
         DX          DY          DZ         /D/  (DEBYE)
    -0.000000   -0.000000    0.000000    0.000000
 ...... END OF PROPERTY EVALUATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  16.67%
 THE VIB 0 GRADIENT RMS = 6.91166360E-06

 THE VIB 0 GEOMETRY GRADIENT IS

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000000000       0.000000000       0.000000000
    2 H               -0.000006912       0.000011971       0.000000000
    3 H               -0.000006912      -0.000011971       0.000000000
    4 H                0.000013823       0.000000000       0.000000000
  $VIB   
          IVIB=   0 IATOM=   0 ICOORD=   0 E=       -9.1286961082
  0.000000000E+00 0.000000000E+00 0.000000000E+00-6.912219365E-06 1.197134120E-05
  0.000000000E+00-6.912217119E-06-1.197134120E-05 0.000000000E+00 1.382279213E-05
  0.000000000E+00 0.000000000E+00
 -1.975582140E-11-1.203587102E-15 4.809478624E-16
1   ATOM  1
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.010000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  14.29%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  14.29%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286508938    -9.1286508938   0.001722543   0.000000000
   2  1  0       -9.1286574024    -0.0000065085   0.000476377   0.000000000
   3  2  0       -9.1286579786    -0.0000005762   0.000147118   0.000000000
   4  3  0       -9.1286580512    -0.0000000726   0.000059344   0.000000000
   5  4  0       -9.1286580623    -0.0000000111   0.000027811   0.000000000
   6  5  0       -9.1286580641    -0.0000000018   0.000012673   0.000000000
   7  6  0       -9.1286580644    -0.0000000003   0.000005680   0.000000000
   8  7  0       -9.1286580645    -0.0000000001   0.000002519   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286580645 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.01775 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  14.29%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  12.50%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.007630036       0.000000000       0.000000000
    2 H               -0.001634818       0.001557667       0.000000000
    3 H               -0.001634818      -0.001557667       0.000000000
    4 H               -0.004360401       0.000000000       0.000000000
  $VIB   
          IVIB=   1 IATOM=   1 ICOORD=   1 E=       -9.1286580645
  7.630036272E-03 0.000000000E+00 0.000000000E+00-1.634817830E-03 1.557666849E-03
  0.000000000E+00-1.634817827E-03-1.557666852E-03 0.000000000E+00-4.360400615E-03
  0.000000000E+00 0.000000000E+00
 -1.468100837E-02-1.459756661E-15-1.441003779E-16
1   ATOM  1
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.010000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  12.50%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  12.50%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286510773    -9.1286510773   0.001497925   0.000000000
   2  1  0       -9.1286576026    -0.0000065253   0.000416326   0.000000000
   3  2  0       -9.1286581838    -0.0000005812   0.000146952   0.000000000
   4  3  0       -9.1286582575    -0.0000000737   0.000055747   0.000000000
   5  4  0       -9.1286582687    -0.0000000113   0.000024425   0.000000000
   6  5  0       -9.1286582706    -0.0000000019   0.000011130   0.000000000
   7  6  0       -9.1286582709    -0.0000000003   0.000004991   0.000000000
   8  7  0       -9.1286582710    -0.0000000001   0.000002215   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286582710 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.01788 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  11.11%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  10.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000061938       0.007568095       0.000000000
    2 H                0.001575295      -0.003438589       0.000000000
    3 H               -0.001536381      -0.003403111       0.000000000
    4 H                0.000023024      -0.000726395       0.000000000
  $VIB   
          IVIB=   1 IATOM=   1 ICOORD=   2 E=       -9.1286582710
 -6.193796932E-05 7.568094945E-03 0.000000000E+00 1.575294962E-03-3.438588624E-03
  0.000000000E+00-1.536381102E-03-3.403111246E-03 0.000000000E+00 2.302410842E-05
 -7.263950746E-04 0.000000000E+00
 -2.710313543E-05-1.470811126E-02-5.277394084E-16
1   ATOM  1
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.010000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  10.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  10.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286783937    -9.1286783937   0.003261093   0.000000000
   2  1  0       -9.1286929181    -0.0000145244   0.001805714   0.000000000
   3  2  0       -9.1286973717    -0.0000044536   0.000999872   0.000000000
   4  3  0       -9.1286987373    -0.0000013656   0.000553669   0.000000000
   5  4  0       -9.1286991561    -0.0000004188   0.000306594   0.000000000
   6  5  0       -9.1286992845    -0.0000001284   0.000169779   0.000000000
   7  6  0       -9.1286993239    -0.0000000394   0.000094017   0.000000000
   8  7  0       -9.1286993359    -0.0000000121   0.000052063   0.000000000
   9  8  0       -9.1286993396    -0.0000000037   0.000028831   0.000000000
  10  9  0       -9.1286993408    -0.0000000011   0.000015966   0.000000000
  11 10  0       -9.1286993411    -0.0000000003   0.000008841   0.000000000
  12 11  0       -9.1286993412    -0.0000000001   0.000004896   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286993412 AFTER  12 ITERATIONS

 HEAT OF FORMATION IS        -3.04365 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  20.00%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  18.18%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000000000       0.000000000      -0.000643024
    2 H               -0.000011567       0.000020034       0.000214341
    3 H               -0.000011567      -0.000020034       0.000214341
    4 H                0.000023133       0.000000000       0.000214341
  $VIB   
          IVIB=   1 IATOM=   1 ICOORD=   3 E=       -9.1286993412
  0.000000000E+00 0.000000000E+00-6.430242401E-04-1.156741261E-05 2.003436976E-05
  2.143414124E-04-1.156741261E-05-2.003437028E-05 2.143414124E-04 2.313317257E-05
  0.000000000E+00 2.143414152E-04
 -1.975857537E-11-9.172704719E-16-3.883351818E-02
1   ATOM  2
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.912746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  18.18%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  18.18%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286850530    -9.1286850530   0.001148627   0.000000000
   2  1  0       -9.1286873515    -0.0000022985   0.000437937   0.000000000
   3  2  0       -9.1286876621    -0.0000003106   0.000171433   0.000000000
   4  3  0       -9.1286877099    -0.0000000477   0.000068172   0.000000000
   5  4  0       -9.1286877176    -0.0000000077   0.000027371   0.000000000
   6  5  0       -9.1286877189    -0.0000000013   0.000011058   0.000000000
   7  6  0       -9.1286877191    -0.0000000002   0.000004487   0.000000000
   8  7  0       -9.1286877191    -0.0000000000   0.000001827   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286877191 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03635 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  16.67%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  16.67%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.001620951       0.001564874       0.000000000
    2 H                0.001684178      -0.001773325       0.000000000
    3 H                0.000148650      -0.000162487       0.000000000
    4 H               -0.000211876       0.000370938       0.000000000
  $VIB   
          IVIB=   1 IATOM=   2 ICOORD=   1 E=       -9.1286877191
 -1.620951331E-03 1.564874115E-03 0.000000000E+00 1.684177510E-03-1.773325064E-03
  0.000000000E+00 1.486501126E-04-1.624869840E-04 0.000000000E+00-2.118762919E-04
  3.709379325E-04 0.000000000E+00
  6.033796123E-03 1.931342908E-03-4.242615541E-16
1   ATOM  2
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.608243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  16.67%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  16.67%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286751754    -9.1286751754   0.000753191   0.000000000
   2  1  0       -9.1286771905    -0.0000020151   0.000210873   0.000000000
   3  2  0       -9.1286773542    -0.0000001637   0.000089162   0.000000000
   4  3  0       -9.1286773731    -0.0000000189   0.000036934   0.000000000
   5  4  0       -9.1286773758    -0.0000000027   0.000015166   0.000000000
   6  5  0       -9.1286773762    -0.0000000004   0.000006207   0.000000000
   7  6  0       -9.1286773763    -0.0000000001   0.000002539   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286773763 AFTER   7 ITERATIONS

 HEAT OF FORMATION IS        -3.02986 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  25.00%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  23.08%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.001529864      -0.003391602       0.000000000
    2 H               -0.001755353       0.003724411       0.000000000
    3 H                0.000142268      -0.000360864       0.000000000
    4 H                0.000083220       0.000028055       0.000000000
  $VIB   
          IVIB=   1 IATOM=   2 ICOORD=   2 E=       -9.1286773763
  1.529864170E-03-3.391601934E-03 0.000000000E+00-1.755352991E-03 3.724410747E-03
  0.000000000E+00 1.422684009E-04-3.608637990E-04 0.000000000E+00 8.322042005E-05
  2.805498517E-05 0.000000000E+00
  1.930534832E-03 3.773998171E-03-1.023974078E-15
1   ATOM  2
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.010000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  23.08%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  23.08%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  21.43%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  21.43%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000006564      -0.000011367       0.000213419
    2 H               -0.000013162       0.000022797      -0.000069913
    3 H               -0.000007143      -0.000011743      -0.000071753
    4 H                0.000013741       0.000000314      -0.000071753
  $VIB   
          IVIB=   1 IATOM=   2 ICOORD=   3 E=       -9.1286964671
  6.564341888E-06-1.136692642E-05 2.134190089E-04-1.316237235E-05 2.279692201E-05
 -6.991331917E-05-7.142672904E-06-1.174349808E-05-7.175284609E-05 1.374070336E-05
  3.135024930E-07-7.175284367E-05
  1.651526484E-05-2.860531203E-05 1.293945201E-02
1   ATOM  3
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.912746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  21.43%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  21.43%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286850530    -9.1286850530   0.001148627   0.000000000
   2  1  0       -9.1286873515    -0.0000022985   0.000437937   0.000000000
   3  2  0       -9.1286876621    -0.0000003106   0.000171433   0.000000000
   4  3  0       -9.1286877099    -0.0000000477   0.000068172   0.000000000
   5  4  0       -9.1286877176    -0.0000000077   0.000027371   0.000000000
   6  5  0       -9.1286877189    -0.0000000013   0.000011058   0.000000000
   7  6  0       -9.1286877191    -0.0000000002   0.000004487   0.000000000
   8  7  0       -9.1286877191    -0.0000000000   0.000001827   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286877191 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03635 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  20.00%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  20.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.001620951      -0.001564874       0.000000000
    2 H                0.000148650       0.000162487       0.000000000
    3 H                0.001684178       0.001773325       0.000000000
    4 H               -0.000211876      -0.000370938       0.000000000
  $VIB   
          IVIB=   1 IATOM=   3 ICOORD=   1 E=       -9.1286877191
 -1.620951339E-03-1.564874121E-03 0.000000000E+00 1.486501150E-04 1.624869847E-04
  0.000000000E+00 1.684177516E-03 1.773325066E-03 0.000000000E+00-2.118762917E-04
 -3.709379304E-04 0.000000000E+00
  6.033796123E-03-1.931342908E-03-2.084437055E-16
1   ATOM  3
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.588243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  18.75%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  18.75%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286751783    -9.1286751783   0.000753864   0.000000000
   2  1  0       -9.1286772192    -0.0000020409   0.000212699   0.000000000
   3  2  0       -9.1286773860    -0.0000001668   0.000089796   0.000000000
   4  3  0       -9.1286774053    -0.0000000193   0.000037147   0.000000000
   5  4  0       -9.1286774081    -0.0000000028   0.000015234   0.000000000
   6  5  0       -9.1286774086    -0.0000000004   0.000006227   0.000000000
   7  6  0       -9.1286774086    -0.0000000001   0.000002544   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286774086 AFTER   7 ITERATIONS

 HEAT OF FORMATION IS        -3.02988 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  25.00%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  25.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.001581461      -0.003450372       0.000000000
    2 H               -0.000157313      -0.000341427       0.000000000
    3 H                0.001794483       0.003762613       0.000000000
    4 H               -0.000055709       0.000029186       0.000000000
  $VIB   
          IVIB=   1 IATOM=   3 ICOORD=   2 E=       -9.1286774086
 -1.581461272E-03-3.450371930E-03 0.000000000E+00-1.573127928E-04-3.414268683E-04
  0.000000000E+00 1.794483275E-03 3.762612660E-03 0.000000000E+00-5.570921041E-05
  2.918613827E-05 0.000000000E+00
 -1.939298833E-03 3.793114009E-03 3.064326533E-17
1   ATOM  3
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.010000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  25.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  25.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  29.41%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  29.41%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000006564       0.000011367       0.000213419
    2 H               -0.000007143       0.000011744      -0.000071753
    3 H               -0.000013162      -0.000022797      -0.000069913
    4 H                0.000013741      -0.000000314      -0.000071753
  $VIB   
          IVIB=   1 IATOM=   3 ICOORD=   3 E=       -9.1286964671
  6.564341888E-06 1.136692366E-05 2.134190034E-04-7.142672731E-06 1.174350412E-05
 -7.175284108E-05-1.316237200E-05-2.279692529E-05-6.991331865E-05 1.374070284E-05
 -3.135024930E-07-7.175284367E-05
  1.651526484E-05 2.860531203E-05 1.293945201E-02
1   ATOM  4
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.855492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286703288    -9.1286703288   0.000868910   0.000000000
   2  1  0       -9.1286722188    -0.0000018901   0.000203084   0.000000000
   3  2  0       -9.1286723119    -0.0000000931   0.000047476   0.000000000
   4  3  0       -9.1286723168    -0.0000000049   0.000011091   0.000000000
   5  4  0       -9.1286723171    -0.0000000003   0.000002907   0.000000000
   6  5  0       -9.1286723172    -0.0000000000   0.000001049   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286723172 AFTER   6 ITERATIONS

 HEAT OF FORMATION IS        -3.02669 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.004265023       0.000000000       0.000000000
    2 H               -0.000230443       0.000080755       0.000000000
    3 H               -0.000230443      -0.000080755       0.000000000
    4 H                0.004725909       0.000000000       0.000000000
  $VIB   
          IVIB=   1 IATOM=   4 ICOORD=   1 E=       -9.1286723172
 -4.265022573E-03 0.000000000E+00 0.000000000E+00-2.304431649E-04 8.075524490E-05
  0.000000000E+00-2.304431649E-04-8.075524749E-05 0.000000000E+00 4.725908902E-03
  0.000000000E+00 0.000000000E+00
  2.662984135E-03-1.639471443E-15 8.725806851E-16
1   ATOM  4
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.010000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  27.78%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286898977    -9.1286898977   0.001420327   0.000000000
   2  1  0       -9.1286923117    -0.0000024139   0.000558343   0.000000000
   3  2  0       -9.1286926917    -0.0000003801   0.000222343   0.000000000
   4  3  0       -9.1286927533    -0.0000000616   0.000089260   0.000000000
   5  4  0       -9.1286927634    -0.0000000101   0.000036029   0.000000000
   6  5  0       -9.1286927651    -0.0000000017   0.000014601   0.000000000
   7  6  0       -9.1286927654    -0.0000000003   0.000005936   0.000000000
   8  7  0       -9.1286927655    -0.0000000000   0.000002420   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286927655 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03952 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  26.32%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  30.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000009727      -0.000726416       0.000000000
    2 H                0.000362900       0.000040918       0.000000000
    3 H               -0.000375536       0.000016503       0.000000000
    4 H                0.000022363       0.000668994       0.000000000
  $VIB   
          IVIB=   1 IATOM=   4 ICOORD=   2 E=       -9.1286927655
 -9.727257650E-06-7.264158275E-04 0.000000000E+00 3.629002971E-04 4.091840256E-05
  0.000000000E+00-3.755360610E-04 1.650315266E-05 0.000000000E+00 2.236302157E-05
  6.689942723E-04 0.000000000E+00
 -1.358228163E-05 7.138913245E-03-1.057568878E-15
1   ATOM  4
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  1

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.010000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  30.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  30.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  33.33%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  36.36%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000013124       0.000000000       0.000213419
    2 H               -0.000006600       0.000012057      -0.000071753
    3 H               -0.000006600      -0.000012057      -0.000071753
    4 H                0.000026323       0.000000000      -0.000069913
  $VIB   
          IVIB=   1 IATOM=   4 ICOORD=   3 E=       -9.1286964671
 -1.312374242E-05 0.000000000E+00 2.134190062E-04-6.599674640E-06 1.205700092E-05
 -7.175284091E-05-6.599671876E-06-1.205700074E-05-7.175284350E-05 2.632308893E-05
  0.000000000E+00-6.991332176E-05
 -3.303058896E-05-1.623646486E-15 1.293945201E-02
1   ATOM  1
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N               -0.010000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  36.36%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  36.36%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286512607    -9.1286512607   0.001730794   0.000000000
   2  1  0       -9.1286578028    -0.0000065421   0.000481485   0.000000000
   3  2  0       -9.1286583890    -0.0000005862   0.000149618   0.000000000
   4  3  0       -9.1286584637    -0.0000000747   0.000060544   0.000000000
   5  4  0       -9.1286584752    -0.0000000115   0.000028369   0.000000000
   6  5  0       -9.1286584771    -0.0000000019   0.000012933   0.000000000
   7  6  0       -9.1286584774    -0.0000000003   0.000005802   0.000000000
   8  7  0       -9.1286584775    -0.0000000001   0.000002576   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286584775 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.01801 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  36.36%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  39.13%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.007506154       0.000000000       0.000000000
    2 H                0.001614008      -0.001553546       0.000000000
    3 H                0.001614008       0.001553546       0.000000000
    4 H                0.004278138       0.000000000       0.000000000
  $VIB   
          IVIB=   2 IATOM=   1 ICOORD=   1 E=       -9.1286584775
 -7.506153655E-03 0.000000000E+00 0.000000000E+00 1.614007827E-03-1.553545533E-03
  0.000000000E+00 1.614007827E-03 1.553545533E-03 0.000000000E+00 4.278138001E-03
  0.000000000E+00 0.000000000E+00
  1.473521413E-02-1.699360206E-15 8.027337721E-16
1   ATOM  1
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000      -0.010000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  39.13%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  39.13%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286510773    -9.1286510773   0.001497925   0.000000000
   2  1  0       -9.1286576026    -0.0000065253   0.000416326   0.000000000
   3  2  0       -9.1286581838    -0.0000005812   0.000146952   0.000000000
   4  3  0       -9.1286582575    -0.0000000737   0.000055747   0.000000000
   5  4  0       -9.1286582687    -0.0000000113   0.000024425   0.000000000
   6  5  0       -9.1286582706    -0.0000000019   0.000011130   0.000000000
   7  6  0       -9.1286582709    -0.0000000003   0.000004991   0.000000000
   8  7  0       -9.1286582710    -0.0000000001   0.000002215   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286582710 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.01788 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  39.13%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  41.67%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000061938      -0.007568095       0.000000000
    2 H               -0.001536381       0.003403111       0.000000000
    3 H                0.001575295       0.003438589       0.000000000
    4 H                0.000023024       0.000726395       0.000000000
  $VIB   
          IVIB=   2 IATOM=   1 ICOORD=   2 E=       -9.1286582710
 -6.193796656E-05-7.568094942E-03 0.000000000E+00-1.536381096E-03 3.403111246E-03
  0.000000000E+00 1.575294958E-03 3.438588622E-03 0.000000000E+00 2.302410497E-05
  7.263950745E-04 0.000000000E+00
 -2.710313542E-05 1.470811126E-02-7.921497281E-16
1   ATOM  1
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000      -0.010000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  41.67%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  41.67%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286783937    -9.1286783937   0.003261093   0.000000000
   2  1  0       -9.1286929181    -0.0000145244   0.001805714   0.000000000
   3  2  0       -9.1286973717    -0.0000044536   0.000999872   0.000000000
   4  3  0       -9.1286987373    -0.0000013656   0.000553669   0.000000000
   5  4  0       -9.1286991561    -0.0000004188   0.000306594   0.000000000
   6  5  0       -9.1286992845    -0.0000001284   0.000169779   0.000000000
   7  6  0       -9.1286993239    -0.0000000394   0.000094017   0.000000000
   8  7  0       -9.1286993359    -0.0000000121   0.000052063   0.000000000
   9  8  0       -9.1286993396    -0.0000000037   0.000028831   0.000000000
  10  9  0       -9.1286993408    -0.0000000011   0.000015966   0.000000000
  11 10  0       -9.1286993411    -0.0000000003   0.000008841   0.000000000
  12 11  0       -9.1286993412    -0.0000000001   0.000004896   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286993412 AFTER  12 ITERATIONS

 HEAT OF FORMATION IS        -3.04365 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.2 SECONDS, CPU UTILIZATION IS  41.67%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  42.31%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000000000       0.000000000       0.000643024
    2 H               -0.000011567       0.000020034      -0.000214341
    3 H               -0.000011567      -0.000020034      -0.000214341
    4 H                0.000023133       0.000000000      -0.000214341
  $VIB   
          IVIB=   2 IATOM=   1 ICOORD=   3 E=       -9.1286993412
  0.000000000E+00 0.000000000E+00 6.430242401E-04-1.156741261E-05 2.003437045E-05
 -2.143414124E-04-1.156741261E-05-2.003437045E-05-2.143414124E-04 2.313316981E-05
  0.000000000E+00-2.143414152E-04
 -1.976187072E-11-5.573834834E-16 3.883351818E-02
1   ATOM  2
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.932746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  42.31%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  42.31%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286849291    -9.1286849291   0.001139810   0.000000000
   2  1  0       -9.1286872012    -0.0000022722   0.000434217   0.000000000
   3  2  0       -9.1286875075    -0.0000003063   0.000169937   0.000000000
   4  3  0       -9.1286875546    -0.0000000471   0.000067580   0.000000000
   5  4  0       -9.1286875623    -0.0000000076   0.000027138   0.000000000
   6  5  0       -9.1286875635    -0.0000000013   0.000010966   0.000000000
   7  6  0       -9.1286875638    -0.0000000002   0.000004450   0.000000000
   8  7  0       -9.1286875638    -0.0000000000   0.000001812   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286875638 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03626 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  42.31%
 CPU     0: STEP CPU TIME=     0.02 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.001627914      -0.001546318       0.000000000
    2 H               -0.001703124       0.001776556       0.000000000
    3 H               -0.000162039       0.000137272       0.000000000
    4 H                0.000237248      -0.000367510       0.000000000
  $VIB   
          IVIB=   2 IATOM=   2 ICOORD=   1 E=       -9.1286875638
  1.627914216E-03-1.546317733E-03 0.000000000E+00-1.703123557E-03 1.776555763E-03
  0.000000000E+00-1.620390200E-04 1.372717499E-04 0.000000000E+00 2.372483614E-04
 -3.675097798E-04 0.000000000E+00
 -6.007837653E-03-1.941963085E-03 5.115078992E-16
1   ATOM  2
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.588243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  48.15%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286751783    -9.1286751783   0.000753864   0.000000000
   2  1  0       -9.1286772192    -0.0000020409   0.000212699   0.000000000
   3  2  0       -9.1286773860    -0.0000001668   0.000089796   0.000000000
   4  3  0       -9.1286774053    -0.0000000193   0.000037147   0.000000000
   5  4  0       -9.1286774081    -0.0000000028   0.000015234   0.000000000
   6  5  0       -9.1286774086    -0.0000000004   0.000006227   0.000000000
   7  6  0       -9.1286774086    -0.0000000001   0.000002544   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286774086 AFTER   7 ITERATIONS

 HEAT OF FORMATION IS        -3.02988 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  48.15%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.001581461       0.003450372       0.000000000
    2 H                0.001794483      -0.003762613       0.000000000
    3 H               -0.000157313       0.000341427       0.000000000
    4 H               -0.000055709      -0.000029186       0.000000000
  $VIB   
          IVIB=   2 IATOM=   2 ICOORD=   2 E=       -9.1286774086
 -1.581461272E-03 3.450371938E-03 0.000000000E+00 1.794483275E-03-3.762612662E-03
  0.000000000E+00-1.573127930E-04 3.414268653E-04 0.000000000E+00-5.570921058E-05
 -2.918614103E-05 0.000000000E+00
 -1.939298833E-03-3.793114009E-03-1.408422759E-16
1   ATOM  2
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243      -0.010000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  48.28%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000006564      -0.000011367      -0.000213419
    2 H               -0.000013162       0.000022797       0.000069913
    3 H               -0.000007143      -0.000011744       0.000071753
    4 H                0.000013741       0.000000313       0.000071753
  $VIB   
          IVIB=   2 IATOM=   2 ICOORD=   3 E=       -9.1286964671
  6.564339125E-06-1.136692089E-05-2.134190062E-04-1.316236924E-05 2.279692218E-05
  6.991331623E-05-7.142672731E-06-1.174350067E-05 7.175284627E-05 1.374070284E-05
  3.134993839E-07 7.175284367E-05
  1.651526484E-05-2.860531203E-05-1.293945201E-02
1   ATOM  3
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.932746      -1.598243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  48.28%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  48.28%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286849291    -9.1286849291   0.001139810   0.000000000
   2  1  0       -9.1286872012    -0.0000022722   0.000434217   0.000000000
   3  2  0       -9.1286875075    -0.0000003063   0.000169937   0.000000000
   4  3  0       -9.1286875546    -0.0000000471   0.000067580   0.000000000
   5  4  0       -9.1286875623    -0.0000000076   0.000027138   0.000000000
   6  5  0       -9.1286875635    -0.0000000013   0.000010966   0.000000000
   7  6  0       -9.1286875638    -0.0000000002   0.000004450   0.000000000
   8  7  0       -9.1286875638    -0.0000000000   0.000001812   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286875638 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03626 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  51.72%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  51.72%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.001627914       0.001546318       0.000000000
    2 H               -0.000162039      -0.000137272       0.000000000
    3 H               -0.001703124      -0.001776556       0.000000000
    4 H                0.000237248       0.000367510       0.000000000
  $VIB   
          IVIB=   2 IATOM=   3 ICOORD=   1 E=       -9.1286875638
  1.627914216E-03 1.546317730E-03 0.000000000E+00-1.620390170E-04-1.372717470E-04
  0.000000000E+00-1.703123558E-03-1.776555763E-03 0.000000000E+00 2.372483588E-04
  3.675097793E-04 0.000000000E+00
 -6.007837653E-03 1.941963085E-03 1.169577305E-17
1   ATOM  3
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.608243       0.000000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  50.00%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286751754    -9.1286751754   0.000753191   0.000000000
   2  1  0       -9.1286771905    -0.0000020151   0.000210873   0.000000000
   3  2  0       -9.1286773542    -0.0000001637   0.000089162   0.000000000
   4  3  0       -9.1286773731    -0.0000000189   0.000036934   0.000000000
   5  4  0       -9.1286773758    -0.0000000027   0.000015166   0.000000000
   6  5  0       -9.1286773762    -0.0000000004   0.000006207   0.000000000
   7  6  0       -9.1286773763    -0.0000000001   0.000002539   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286773763 AFTER   7 ITERATIONS

 HEAT OF FORMATION IS        -3.02986 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.33%
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.33%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.001529864       0.003391602       0.000000000
    2 H                0.000142268       0.000360864       0.000000000
    3 H               -0.001755353      -0.003724411       0.000000000
    4 H                0.000083220      -0.000028055       0.000000000
  $VIB   
          IVIB=   2 IATOM=   3 ICOORD=   2 E=       -9.1286773763
  1.529864170E-03 3.391601925E-03 0.000000000E+00 1.422684009E-04 3.608638043E-04
  0.000000000E+00-1.755352991E-03-3.724410747E-03 0.000000000E+00 8.322042005E-05
 -2.805498241E-05 0.000000000E+00
  1.930534832E-03-3.773998171E-03-1.316317938E-16
1   ATOM  3
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243      -0.010000
                 4  H                1.845492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.33%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.33%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  51.61%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.13%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000006564       0.000011367      -0.000213419
    2 H               -0.000007143       0.000011744       0.000071753
    3 H               -0.000013162      -0.000022797       0.000069913
    4 H                0.000013741      -0.000000313       0.000071753
  $VIB   
          IVIB=   2 IATOM=   3 ICOORD=   3 E=       -9.1286964671
  6.564339125E-06 1.136692089E-05-2.134190006E-04-7.142673077E-06 1.174350361E-05
  7.175284126E-05-1.316236924E-05-2.279692511E-05 6.991331571E-05 1.374070319E-05
 -3.134993839E-07 7.175284367E-05
  1.651526484E-05 2.860531203E-05-1.293945201E-02
1   ATOM  4
                                        -------------------
   COORD  1                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.835492       0.000000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.13%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.13%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286702098    -9.1286702098   0.000871295   0.000000000
   2  1  0       -9.1286721183    -0.0000019085   0.000204228   0.000000000
   3  2  0       -9.1286722125    -0.0000000942   0.000047827   0.000000000
   4  3  0       -9.1286722175    -0.0000000050   0.000011197   0.000000000
   5  4  0       -9.1286722178    -0.0000000003   0.000002832   0.000000000
   6  5  0       -9.1286722178    -0.0000000000   0.000001018   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286722178 AFTER   6 ITERATIONS

 HEAT OF FORMATION IS        -3.02663 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  53.13%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  54.55%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.004373775       0.000000000       0.000000000
    2 H                0.000218622      -0.000058223       0.000000000
    3 H                0.000218622       0.000058223       0.000000000
    4 H               -0.004811019       0.000000000       0.000000000
  $VIB   
          IVIB=   2 IATOM=   4 ICOORD=   1 E=       -9.1286722178
  4.373775377E-03 0.000000000E+00 0.000000000E+00 2.186219447E-04-5.822306799E-05
  0.000000000E+00 2.186219388E-04 5.822307058E-05 0.000000000E+00-4.811019261E-03
  0.000000000E+00 0.000000000E+00
 -2.670151911E-03-2.229411933E-15-3.912758470E-16
1   ATOM  4
                                        -------------------
   COORD  2                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492      -0.010000       0.000000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  54.55%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  54.55%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286898977    -9.1286898977   0.001420327   0.000000000
   2  1  0       -9.1286923117    -0.0000024139   0.000558343   0.000000000
   3  2  0       -9.1286926917    -0.0000003801   0.000222343   0.000000000
   4  3  0       -9.1286927533    -0.0000000616   0.000089260   0.000000000
   5  4  0       -9.1286927634    -0.0000000101   0.000036029   0.000000000
   6  5  0       -9.1286927651    -0.0000000017   0.000014601   0.000000000
   7  6  0       -9.1286927654    -0.0000000003   0.000005936   0.000000000
   8  7  0       -9.1286927655    -0.0000000000   0.000002420   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286927655 AFTER   8 ITERATIONS

 HEAT OF FORMATION IS        -3.03952 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  54.55%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  55.88%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000009727       0.000726416       0.000000000
    2 H               -0.000375536      -0.000016503       0.000000000
    3 H                0.000362900      -0.000040918       0.000000000
    4 H                0.000022363      -0.000668994       0.000000000
  $VIB   
          IVIB=   2 IATOM=   4 ICOORD=   2 E=       -9.1286927655
 -9.727254886E-06 7.264158192E-04 0.000000000E+00-3.755360634E-04-1.650314748E-05
  0.000000000E+00 3.629002971E-04-4.091839997E-05 0.000000000E+00 2.236302123E-05
 -6.689942718E-04 0.000000000E+00
 -1.358228163E-05-7.138913245E-03-4.125036591E-16
1   ATOM  4
                                        -------------------
   COORD  3                             NUCLEAR COORDINATES
                                        -------------------
     VIB  2

                       ATOM             X              Y              Z

                 1  N                0.000000       0.000000       0.000000
                 2  H               -0.922746       1.598243       0.000000
                 3  H               -0.922746      -1.598243       0.000000
                 4  H                1.845492       0.000000      -0.010000

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE        89 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  55.88%
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  55.88%

          --------------------------
               R-AM1 SCF CALCULATION
          --------------------------
     DENSITY MATRIX CONV=  1.00E-05

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0       -9.1286908946    -9.1286908946   0.002279102   0.000000000
   2  1  0       -9.1286947310    -0.0000038364   0.001271800   0.000000000
   3  2  0       -9.1286959261    -0.0000011951   0.000709731   0.000000000
   4  3  0       -9.1286962985    -0.0000003724   0.000396085   0.000000000
   5  4  0       -9.1286964146    -0.0000001160   0.000221057   0.000000000
   6  5  0       -9.1286964507    -0.0000000362   0.000123378   0.000000000
   7  6  0       -9.1286964620    -0.0000000113   0.000068864   0.000000000
   8  7  0       -9.1286964655    -0.0000000035   0.000038439   0.000000000
   9  8  0       -9.1286964666    -0.0000000011   0.000021457   0.000000000
  10  9  0       -9.1286964670    -0.0000000003   0.000011978   0.000000000
  11 10  0       -9.1286964671    -0.0000000001   0.000006687   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL R-AM1 ENERGY IS       -9.1286964671 AFTER  11 ITERATIONS

 HEAT OF FORMATION IS        -3.04184 KCAL/MOL

 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  55.88%
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  58.82%

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N               -0.000013124       0.000000000      -0.000213419
    2 H               -0.000006600       0.000012057       0.000071753
    3 H               -0.000006600      -0.000012057       0.000071753
    4 H                0.000026323       0.000000000       0.000069913
  $VIB   
          IVIB=   2 IATOM=   4 ICOORD=   3 E=       -9.1286964671
 -1.312375071E-05 0.000000000E+00-2.134190089E-04-6.599671703E-06 1.205699798E-05
  7.175284385E-05-6.599671703E-06-1.205700351E-05 7.175284367E-05 2.632309412E-05
  0.000000000E+00 6.991332141E-05
 -3.303058896E-05-5.384345331E-16-1.293945201E-02
 ...... END OF NUMERICAL HESSIAN CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  58.82%

          ---------------
          ENERGY GRADIENT
          ---------------

 UNITS ARE HARTREE/BOHR    E'X               E'Y               E'Z 
    1 N                0.000000000       0.000000000       0.000000000
    2 H               -0.000006912       0.000011971       0.000000000
    3 H               -0.000006912      -0.000011971       0.000000000
    4 H                0.000013823       0.000000000       0.000000000

          -------------------------------
          CARTESIAN FORCE CONSTANT MATRIX
          -------------------------------

                                   1                          2
                               N                          H         
                          X        Y        Z        X        Y        Z
  1   N            X 0.756809-0.000000 0.000000-0.162442 0.155563 0.000000
                   Y-0.000000 0.756809 0.000000 0.155572-0.342092-0.000000
                   Z 0.000000 0.000000-0.064302 0.000000-0.000000 0.021388
  2   H            X-0.162442 0.155572 0.000000 0.169365-0.177493-0.000000
                   Y 0.155563-0.342092-0.000000-0.177493 0.374351-0.000000
                   Z 0.000000-0.000000 0.021388-0.000000-0.000000-0.006991
  3   H            X-0.162442-0.155572 0.000000 0.015534 0.014983-0.000000
                   Y-0.155563-0.342092 0.000000-0.014983-0.035115 0.000000
                   Z 0.000000 0.000000 0.021388 0.000000 0.000000-0.007175
  4   H            X-0.431933 0.000000 0.000000-0.022455 0.006948 0.000000
                   Y-0.000000-0.072641 0.000000 0.036922 0.002867 0.000000
                   Z 0.000000 0.000000 0.021388-0.000000 0.000000-0.007175

                                   3                          4
                               H                          H         
                          X        Y        Z        X        Y        Z
  3   H            X 0.169365 0.177493-0.000000-0.022455-0.036922-0.000000
                   Y 0.177493 0.374351-0.000000-0.006948 0.002867 0.000000
                   Z-0.000000-0.000000-0.006991-0.000000-0.000000-0.007175
  4   H            X-0.022455-0.006948-0.000000 0.476846 0.000000-0.000000
                   Y-0.036922 0.002867-0.000000 0.000000 0.066899 0.000000
                   Z-0.000000 0.000000-0.007175-0.000000 0.000000-0.006991

          ------------------------          ----------------
          DIPOLE DERIVATIVE TENSOR          (DEBYE/ANGSTROM)
          ------------------------          ----------------

        ATOM                 MU-X           MU-Y           MU-Z
     N          D/DX    -2.779430006    0.000000000    0.000000000
                D/DY     0.000000000   -2.779430007    0.000000000
                D/DZ     0.000000000    0.000000000   -7.338470851
     H          D/DX     1.137769414    0.365974350    0.000000000
                D/DY     0.365646262    0.714988427   -0.000000000
                D/DZ     0.000000000   -0.000000000    2.445201873
     H          D/DX     1.137769414   -0.365974350   -0.000000000
                D/DY    -0.365646262    0.714988427    0.000000000
                D/DZ    -0.000000000    0.000000000    2.445201873
     H          D/DX     0.503908289    0.000000000    0.000000000
                D/DY    -0.000000000    1.349058988   -0.000000000
                D/DZ     0.000000000   -0.000000000    2.445201873

          --------------------------------------------------------
          NORMAL COORDINATE ANALYSIS IN THE HARMONIC APPROXIMATION
          --------------------------------------------------------

          ATOMIC WEIGHTS (AMU)

    1     N                14.00307
    2     H                 1.00782
    3     H                 1.00782
    4     H                 1.00782

 * * * WARNING, MODE 1 HAS BEEN CHOSEN AS A VIBRATION
          WHILE MODE 7 IS ASSUMED TO BE A TRANSLATION/ROTATION.
 PLEASE VERIFY THE PROGRAM'S DECISION MANUALLY!


 MODE(S)     1 TO     1 TREATED AS IMAGINARY.

 MODES    2 TO    7 ARE TAKEN AS ROTATIONS AND TRANSLATIONS.

 ANALYZING SYMMETRY OF NORMAL MODES...

     FREQUENCIES IN CM**-1, IR INTENSITIES IN DEBYE**2/AMU-ANGSTROM**2,
     REDUCED MASSES IN AMU.

                            1           2           3           4           5
       FREQUENCY:       825.18 I      3.88        0.02        0.68       46.87  
        SYMMETRY:         A           A           A           A           A   
    REDUCED MASS:      1.20753     4.16525     4.25674     4.24613     1.01310
    IR INTENSITY:     21.64357     0.00000     0.00000     0.00001     0.00000

  1   N            X -0.00000000  0.00000263  0.24234742  0.00005598  0.00000020
                   Y -0.00000000  0.24152032 -0.00000261  0.00000291 -0.02001871
                   Z -0.11281030 -0.00000292 -0.00005596  0.24225347 -0.00000002
  2   H            X  0.00000000 -0.04114224  0.24234153  0.00005545 -0.49636607
                   Y -0.00000000  0.21776585 -0.00000576  0.00000260 -0.30656563
                   Z  0.52134890 -0.00000290 -0.00005608  0.24277656 -0.00000076
  3   H            X  0.00000000  0.04114751  0.24233981  0.00005652  0.49636647
                   Y -0.00000000  0.21776585  0.00000155  0.00000260 -0.30656563
                   Z  0.52134890 -0.00000283 -0.00005608  0.24277693  0.00000073
  4   H            X  0.00000000  0.00000263  0.24234511  0.00005598  0.00000020
                   Y  0.00000000  0.28899845 -0.00000360  0.00000353  0.55312177
                   Z  0.52134891 -0.00000305 -0.00005608  0.24277688 -0.00000003

 TRANS. SAYVETZ    X  0.00000000  0.00004481  4.12632331  0.00095322  0.00000345
                   Y -0.00000000  4.11222551 -0.00004438  0.00004955 -0.34080252
                   Z -0.00340508 -0.00004976 -0.00095322  4.12632191 -0.00000033
               TOTAL  0.00340508  4.11222551  4.12632342  4.12632202  0.34080252

   ROT. SAYVETZ    X  0.00000000 -0.00000011  0.00000000 -0.00000060 -0.00000240
                   Y -0.00000002  0.00000035  0.00000000 -0.00000026  0.00000003
                   Z  0.00000000  0.26503595 -0.00000555  0.00000345  3.19800336
               TOTAL  0.00000002  0.26503595  0.00000555  0.00000351  3.19800336

                            6           7           8           9          10
       FREQUENCY:        69.45       69.45     1691.24     1691.29     3639.72  
        SYMMETRY:         A           A           A           A           A   
    REDUCED MASS:      1.00783     1.00783     1.09854     1.09852     1.09811
    IR INTENSITY:      0.00000     0.00000     3.10631     3.10682     0.53096

  1   N            X -0.00000000  0.00000000 -0.07971306 -0.00000081 -0.00000002
                   Y  0.00000004  0.00000000  0.00000081 -0.07970749 -0.07954128
                   Z -0.00000004 -0.00000006 -0.00000000  0.00000000 -0.00000000
  2   H            X  0.00000007  0.00000052  0.57231085  0.35180223 -0.35254040
                   Y  0.00000008  0.00000031  0.35177254  0.16608691  0.57195248
                   Z -0.50733967 -0.63568630 -0.00000000  0.00000000  0.00000000
  3   H            X -0.00000007 -0.00000052  0.57231797 -0.35179065  0.35254049
                   Y  0.00000008  0.00000031 -0.35177590  0.16607979  0.57195267
                   Z -0.29685066  0.75721207 -0.00000000 -0.00000000 -0.00000000
  4   H            X  0.00000000  0.00000000 -0.03702575 -0.00000037  0.00000020
                   Y -0.00000004 -0.00000060 -0.00000785  0.77541744 -0.03872662
                   Z  0.80419021 -0.12152594 -0.00000000 -0.00000000  0.00000000

 TRANS. SAYVETZ    X  0.00000000 -0.00000000  0.00004248 -0.00000000  0.00000000
                   Y  0.00000065  0.00000007 -0.00000000  0.00010145  0.00000444
                   Z -0.00000062 -0.00000102 -0.00000000  0.00000000  0.00000000
               TOTAL  0.00000090  0.00000102  0.00004248  0.00010145  0.00000444

   ROT. SAYVETZ    X -0.33904493 -2.24360944 -0.00000000  0.00000000  0.00000000
                   Y -2.24360944  0.33904493 -0.00000000  0.00000000 -0.00000000
                   Z -0.00000043 -0.00000337  0.00000000  0.00000891 -0.00011389
               TOTAL  2.26908237  2.26908237  0.00000000  0.00000891  0.00011389

                           11          12
       FREQUENCY:      3639.78     3661.48  
        SYMMETRY:         A           A   
    REDUCED MASS:      1.09810     1.00783
    IR INTENSITY:      0.53158     0.00000

  1   N            X -0.07953883 -0.00019710
                   Y  0.00000002 -0.00000000
                   Z  0.00000000  0.00000000
  2   H            X  0.16553306 -0.28713051
                   Y -0.35378816  0.49719897
                   Z  0.00000000 -0.00000000
  3   H            X  0.16553287 -0.28713051
                   Y  0.35378786 -0.49719897
                   Z -0.00000000  0.00000000
  4   H            X  0.77408008  0.57700409
                   Y  0.00000001 -0.00000000
                   Z -0.00000000 -0.00000000

 TRANS. SAYVETZ    X  0.00000598  0.00000454
                   Y  0.00000000 -0.00000000
                   Z -0.00000000 -0.00000000
               TOTAL  0.00000598  0.00000454

   ROT. SAYVETZ    X  0.00000000 -0.00000000
                   Y  0.00000000  0.00000000
                   Z  0.00000000 -0.00000000
               TOTAL  0.00000000  0.00000000

 REFERENCE ON SAYVETZ CONDITIONS - A. SAYVETZ, J.CHEM.PHYS., 7, 383-389(1939).

 NOTE - THE MODES J,K ARE ORTHONORMALIZED ACCORDING TO
 SUM ON I   M(I) * (X(I,J)*X(I,K) + Y(I,J)*Y(I,K) + Z(I,J)*Z(I,K)) = DELTA(J,K)

  MODE FREQ(CM**-1)  SYMMETRY  RED. MASS  IR INTENS.
     1     825.176    A        1.207525   21.643570
     2       3.885    A        4.165245    0.000000
     3       0.019    A        4.256742    0.000000
     4       0.681    A        4.246132    0.000010
     5      46.872    A        1.013101    0.000000
     6      69.449    A        1.007825    0.000000
     7      69.449    A        1.007825    0.000000
     8    1691.242    A        1.098535    3.106310
     9    1691.286    A        1.098522    3.106821
    10    3639.715    A        1.098110    0.530963
    11    3639.782    A        1.098104    0.531575
    12    3661.476    A        1.007826    0.000002

     -------------------------------
     THERMOCHEMISTRY AT T=  298.15 K
     -------------------------------

 USING IDEAL GAS, RIGID ROTOR, HARMONIC NORMAL MODE APPROXIMATIONS.
 P=  1.01325E+05 PASCAL.
 ALL FREQUENCIES ARE SCALED BY   1.00000
 THE MOMENTS OF INERTIA ARE (IN AMU*BOHR**2)
      5.14873     5.14873    10.29747
 THE ROTATIONAL SYMMETRY NUMBER IS  1.0
 THE ROTATIONAL CONSTANTS ARE (IN GHZ)
    350.20026   350.20026   175.10013
   1 IMAGINARY FREQUENCY VIBRATION(S) IS(ARE) EXCLUDED
     FROM THE FOLLOWING THERMOCHEMICAL ANALYSIS.
      8 -     12 VIBRATIONAL MODES ARE USED IN THERMOCHEMISTRY.
 THE HARMONIC ZERO POINT ENERGY IS (SCALED BY   1.000)
        0.032631 HARTREE/MOLECULE     7161.750285 CM**-1/MOLECULE 
       20.476492 KCAL/MOL               85.673643 KJ/MOL

               Q               LN Q
 ELEC.     1.00000E+00       0.000000
 TRANS.    2.76149E+06      14.831281
 ROT.      1.87028E+02       5.231260
 VIB.      1.00057E+00       0.000571
 TOT.      5.16772E+08      20.063112

              E         H         G         CV        CP        S
           KJ/MOL    KJ/MOL    KJ/MOL   J/MOL-K   J/MOL-K   J/MOL-K
 ELEC.      0.000     0.000     0.000     0.000     0.000     0.000
 TRANS.     3.718     6.197   -36.766    12.472    20.786   144.099
 ROT.       3.718     3.718   -12.968    12.472    12.472    55.966
 VIB.      85.685    85.685    85.672     0.317     0.317     0.044
 TOTAL     93.122    95.601    35.938    25.260    33.574   200.109
 VIB. THERMAL CORRECTION E(T)-E(0) = H(T)-H(0) =    11.555 J/MOL

              E         H         G         CV        CP        S
         KCAL/MOL  KCAL/MOL  KCAL/MOL CAL/MOL-K CAL/MOL-K CAL/MOL-K
 ELEC.      0.000     0.000     0.000     0.000     0.000     0.000
 TRANS.     0.889     1.481    -8.787     2.981     4.968    34.441
 ROT.       0.889     0.889    -3.099     2.981     2.981    13.376
 VIB.      20.479    20.479    20.476     0.076     0.076     0.010
 TOTAL     22.257    22.849     8.589     6.037     8.024    47.827
 VIB. THERMAL CORRECTION E(T)-E(0) = H(T)-H(0) =     2.762 CAL/MOL
 ......END OF NORMAL COORDINATE ANALYSIS......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  60.00%

 AN AIMPAC INPUT FILE IS BEING WRITTEN TO FILE   7

               580000  WORDS OF DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY Mon Aug 14 12:36:39 2017
 DDI: 263640 bytes (0.3 MB / 0 MWords) used by master data server.

 ----------------------------------------
 CPU timing information for all processes
 ========================================
 0: 0.140 + 0.72 = 0.212
 1: 0.120 + 0.12 = 0.132
 2: 0.104 + 0.12 = 0.116
 3: 0.80 + 0.20 = 0.100
 ----------------------------------------
 ddikick.x: exited gracefully.
----- accounting info -----
Files used on the master node firzens were:
-rw-r--r-- 1 sagar sagar     372 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F05
-rw-rw-r-- 1 sagar sagar       0 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F08
-rw-rw-r-- 1 sagar sagar       0 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F08.001
-rw-rw-r-- 1 sagar sagar       0 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F08.002
-rw-rw-r-- 1 sagar sagar       0 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F08.003
-rw-rw-r-- 1 sagar sagar 1636000 Aug 14 12:36 /scr/sagar/nh3_ts_ir.F10
Mon Aug 14 12:36:42 IST 2017
0.156u 0.004s 0:03.79 3.9%	0+0k 0+16io 0pf+0w