1         ******************************************************
          *            GAMESS VERSION =  6 JUN 1999            *
          *             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)        *
          *******Intel x86 (Win32,Linux,OS/2,DOS) VERSION*******
          * PC GAMESS version 7.0 (Dragon), build number 3910  *
          *   Compiled on    Tuesday,   09-05-2006, 15:14:54   *
          *      Intel specific optimization, bug fixes,       *
          *    code changes, and additional functionality -    *
          *  copyright (c) 1994, 2006 by  Alex A. Granovsky,   *
          *        Laboratory of Chemical Cybernetics,         *
          *      Moscow State University, Moscow, Russia.      *
          *   Some parts of this program include code due to   *
          * work of Jim Kress, Peter Burger, and Robert Ponec. *
          ******************************************************
          *                   PC GAMESS URLs:                  *
          * http://classic.chem.msu.su/gran/gamess/index.html  *
          * http://quantum-2.chem.msu.ru/gran/gamess/index.html*
          *          E-mail: gran@classic.chem.msu.su          *
          *   This program may not be redistributed without    *
          * the specific, written permission of its developers.*
          ******************************************************


 Pentium 4  / Win32  PC GAMESS version running under Windows NT
 Running on Intel CPU:  Brand ID  9, Family 15, Model  2, Stepping  9
 CPU Brand String    :  Intel(R) Pentium(R) 4 CPU 3.00GHz               
 CPU Features        :  CMOV, MMX, SSE, SSE2, HTT, CID                          
 Data cache size     :  L1  8 KB, L2  512 KB, L3    0 KB
 CPU frequency is    :  2992.550 MHz
 Operating System successfully passed SSE support test.


 PARALLEL VERSION (UNIFIED) RUNNING SEQUENTIALLY ON SINGLE NODE

 EXECUTION OF GAMESS BEGUN 18:08:12 LT  11-AUG-2006

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=gradient nprint=-5 $END                              
 INPUT CARD> $SYSTEM TIMLIM=300000 MEMORY=100000000 mklnp=1 $END                            
 INPUT CARD> $smp csmtx=.t. $end                                                            
 INPUT CARD> $p2p p2p=.t. dlb=.t. $end                                                      
 INPUT CARD> $BASIS  GBASIS=PM3 $END                                                        
 INPUT CARD> $GUESS  GUESS=HUCKEL $END                                                      
 INPUT CARD> $scf soscf=.t. $end                                                            
 INPUT CARD> $DATA                                                                          
 INPUT CARD>540-carbon fullerene  PM3                                                       
 INPUT CARD>   C1                                                                           
 INPUT CARD> C   6.0   -0.9502501 -5.701202 11.05954                                        
 INPUT CARD> C   6.0   -0.9502534 -4.316603 11.05995                                        
 INPUT CARD> C   6.0    0.366632  -3.888721 11.05994                                        
 INPUT CARD> C   6.0    1.180695  -5.008749 11.05927                                        
 INPUT CARD> C   6.0    0.3667214 -6.128831 11.05913                                        
 INPUT CARD> C   6.0   -1.94101   -6.420517 10.41655                                        
 INPUT CARD> C   6.0   -3.05633   -5.71241 9.957234                                         
 INPUT CARD> C   6.0   -3.056236  -4.305001 9.957632                                        
 INPUT CARD> C   6.0   -1.941038  -3.59693 10.4175                                          
 INPUT CARD> C   6.0   -1.612049  -2.317381 9.958374                                        
 INPUT CARD> C   6.0   -0.2734255 -1.882379 9.95845                                         
 INPUT CARD> C   6.0    0.7450068 -2.724089 10.41748                                        
 INPUT CARD> C   6.0    2.063338 -2.641326 9.957647                                         
 INPUT CARD> C   6.0    2.890899 -3.779783 9.957079                                         
 INPUT CARD> C   6.0    2.405089 -5.008367 10.41635                                         
 INPUT CARD> C   6.0    2.891165 -6.236416 9.955856                                         
 INPUT CARD> C   6.0    2.06371 -7.375009 9.955254                                          
 INPUT CARD> C   6.0    0.7452176 -7.292803 10.41542                                        
 INPUT CARD> C   6.0   -0.273272 -8.134322 9.95554                                          
 INPUT CARD> C   6.0   -1.612215 -7.699765 9.956201                                         
 INPUT CARD> C   6.0   -2.5857 -8.401692 9.243564                                           
 INPUT CARD> C   6.0   -3.817869 -7.783282 8.972365                                         
 INPUT CARD> C   6.0   -4.025115 -6.420555 9.244604                                         
 INPUT CARD> C   6.0   -5.083938 -5.710349 8.661954                                         
 INPUT CARD> C   6.0   -5.083677 -4.306259 8.662467                                         
 INPUT CARD> C   6.0   -4.024873 -3.596336 9.245378                                         
 INPUT CARD> C   6.0   -3.81715 -2.233573 8.974397                                          
 INPUT CARD> C   6.0   -2.585363 -1.615286 9.246222                                         
 INPUT CARD> C   6.0   -2.237165 -0.3886639 8.664265                                        
 INPUT CARD> C   6.0   -0.9019709 0.04539468 8.664373                                       
 INPUT CARD> C   6.0    0.1010003 -0.7421301 9.246359                                       
 INPUT CARD> C   6.0    1.460984 -0.5181226 8.974601                                        
 INPUT CARD> C   6.0    2.42998 -1.498653 9.245386                                          
 INPUT CARD> C   6.0    3.703606 -1.450634 8.662362                                         
 INPUT CARD> C   6.0    4.52891 -2.586357 8.661781                                          
 INPUT CARD> C   6.0    4.090619 -3.783403 9.244191                                         
 INPUT CARD> C   6.0    4.723941 -5.007505 8.971981                                         
 INPUT CARD> C   6.0    4.091068 -6.232183 9.242994                                         
 INPUT CARD> C   6.0    4.530038 -7.428463 8.65896                                          
 INPUT CARD> C   6.0    3.70462 -8.564189 8.658428                                          
  100000000 WORDS OF MEMORY AVAILABLE

 WARNING: HTT IS ENABLED, PHYSICALLY UNIQUE MASK IS 0x00000002

     BASIS OPTIONS
     -------------
     GBASIS=PM3          IGAUSS=       0      POLAR=NONE    
     NDFUNC=       0     NFFUNC=       0     DIFFSP=       F
     NPFUNC=       0      DIFFS=       F


     RUN TITLE
     ---------
 540-carbon fullerene  PM3                                                       

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

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 C           6.0    -1.7957123088      -10.7737095807       20.8995001502
 C           6.0    -1.7957185449       -8.1571968678       20.9002749379
 C           6.0     0.6928340183       -7.3486171327       20.9002560406
 C           6.0     2.2311900251       -9.4651631513       20.8989899242
 C           6.0     0.6930029598      -11.5818112151       20.8987253626
 C           6.0    -3.6679770394      -12.1330178295       19.6844252374
 C           6.0    -5.7756262281      -10.7948896295       18.8164438556
 C           6.0    -5.7754485938       -8.1352722669       18.8171959666
 C           6.0    -3.6680299518       -6.7972120970       19.6862204771
 C           6.0    -3.0463308888       -4.3792150992       18.8185981433
 C           6.0    -0.5166992731       -3.5571805150       18.8187417624
 C           6.0     1.4078587110       -5.1477817762       19.6861826826
 C           6.0     3.8991434401       -4.9913823842       18.8172243125
 C           6.0     5.4630069682       -7.1427541630       18.8161509481
 C           6.0     4.5449591861       -9.4644412759       19.6840472922
 C           6.0     5.4635096353      -11.7851173854       18.8138398132
 C           6.0     3.8998464181      -13.9367461670       18.8127021982
 C           6.0     1.4082570652      -13.7813993524       19.6822898470
 C           6.0    -0.5164092001      -15.3716396759       18.8132426598
 C           6.0    -3.0466445833      -14.5504460199       18.8144917687
 C           6.0    -4.8862644865      -15.8768957132       17.4678031100
 C           6.0    -7.2147262670      -14.7082702652       16.9553113118
 C           6.0    -7.6063644191      -12.1330896391       17.4697684250
 C           6.0    -9.6072497586      -10.7909949043       16.3687195783
 C           6.0    -9.6067565401       -8.1376495422       16.3696890077
 C           6.0    -7.6059071054       -6.7960895998       17.4712310729
 C           6.0    -7.2133675540       -4.2208409436       16.9591512350
 C           6.0    -4.8856276488       -3.0524479318       17.4728260016
 C           6.0    -4.2276288393       -0.7344682723       16.3730867350
 C           6.0    -1.7044778499        0.0857835065       16.3732908254
 C           6.0     0.1908628917       -1.4024225362       17.4730848941
 C           6.0     2.7608594324       -0.9791097420       16.9595367391
 C           6.0     4.5919963556       -2.8320435207       17.4712461907
 C           6.0     6.9988005065       -2.7413007685       16.3694905865
 C           6.0     8.5583989231       -4.8875060364       16.3683926557
 C           6.0     7.7301490302       -7.1495949711       17.4689879682
 C           6.0     8.9269540722       -9.4628123321       16.9545856570
 C           6.0     7.7309975171      -11.7771181753       17.4667259662
 C           6.0     8.5605305340      -14.0377595799       16.3630617386
 C           6.0     7.0007166886      -16.1839705171       16.3620564044
 C           6.0     4.5938142720      -16.0945052196       17.4641861744
 C           6.0     2.7624864865      -17.9469317958       16.9502506256
 C           6.0     0.1918538640      -17.5251619629       17.4648797039
 C           6.0    -1.7037659901      -19.0129866967       16.3632809469
 C           6.0    -4.2283355968      -18.1937262303       16.3644960407
 C           6.0   -18.3785452114      -11.5619917689       -9.9582701402
 C           6.0   -17.6885344437       -9.4449090681      -11.3321935299
 C           6.0   -18.3733957081       -7.3303037982       -9.9520831774
 C           6.0   -19.4901236113       -8.1398624113       -7.7284671740
 C           6.0   -19.4933361455      -10.7563656755       -7.7320160794
 C           6.0   -16.9740895190      -13.7633619179      -10.0603833737
 C           6.0   -15.0852233566      -13.9177487516      -11.9035521823
 C           6.0   -14.3853652267      -11.7662239050      -13.3027468776
 C           6.0   -15.5704010553       -9.4450829229      -12.8631909436
 C           6.0   -14.3769049235       -7.1258316668      -13.2916163915
 C           6.0   -15.0702264911       -4.9781297359      -11.8848646820
 C           6.0   -16.9610428507       -5.1338129217      -10.0445795953
 C           6.0   -17.0409196785       -3.5469835536       -7.9325462424
 C           6.0   -18.1755017129       -4.3686968843       -5.6720843617
 C           6.0   -19.2364090002       -6.7839953535       -5.5087761316
 C           6.0   -19.3991899968       -8.1249354657       -3.2367547971
 C           6.0   -19.4021568666      -10.7844696804       -3.2402980333
 C           6.0   -19.2442324658      -12.1196347901       -5.5162537773
 C           6.0   -18.1886371983      -14.5370327448       -5.6871492573
 C           6.0   -17.0570466001      -15.3551385886       -7.9514888557
 C           6.0   -15.5337176944      -17.5079484489       -7.9827713797
 C           6.0   -13.9261485836      -17.9276565907      -10.0539809821
 C           6.0   -13.5683648727      -16.0750032474      -11.9226365250
 C           6.0   -11.5089944036      -16.1617870237      -13.5869182024
 C           6.0   -10.8114927621      -14.0162904030      -14.9843025402
 C           6.0   -12.1682007479      -11.7556849032      -14.7320241208
 C           6.0   -11.1702969251       -9.4425998230      -15.5711285998
 C           6.0   -12.1600409111       -7.1311323482      -14.7207878101
 C           6.0   -10.7977279980       -4.8724430306      -14.9647986783
 C           6.0   -11.4897740005       -2.7308071201      -13.5606831365
 C           6.0   -13.5499551621       -2.8232449565      -11.8986540125
 C           6.0   -13.9057659991       -0.9742718545      -10.0273490737
 C           6.0   -15.5157936434       -1.3961099066       -7.9593841308
 C           6.0   -15.3807198093        0.0912393344       -5.7726007767
 C           6.0   -16.5124521369       -0.7278342003       -3.5169784844
 C           6.0   -17.7923314230       -3.0447850929       -3.4235920055
 C           6.0   -18.3744445060       -4.2148410636       -1.1129754744
 C           6.0   -19.0087726078       -6.7899215342       -0.9959001464
 C           6.0   -18.9161193426       -8.1324225601        1.2852119039
 C           6.0   -18.9166106713      -10.7852936010        1.2814589081
 C           6.0   -19.0113426351      -12.1242702879       -1.0022577516
 C           6.0   -18.3803952531      -14.6998761023       -1.1262426736
 C           6.0   -17.8041289824      -15.8657312121       -3.4410455147
 C           6.0   -16.5244443380      -18.1827563710       -3.5379865682
 C           6.0   -15.3958773014      -18.9979633751       -5.7967250187
 C           6.0   -14.9954027906      -21.9720519291        7.7273276693
 C           6.0   -16.5335112433      -19.8555777201        7.7283405624
 C           6.0   -16.1069282783      -18.5482388256        9.9547552499
 C           6.0   -14.3073989119      -19.8566359667       11.3314943313
 C           6.0   -13.6202227332      -21.9723164907        9.9534664568
 C           6.0   -13.9945207596      -22.9228864571        5.5083773994
 C           6.0   -14.9152746293      -21.9384148065        3.2344115369
 C           6.0   -16.4785050992      -19.7870373585        3.2354830115
 C           6.0   -17.1299994719      -18.6091579223        5.5102425590
 C           6.0   -17.6931340367      -16.0327130696        5.6794297266
 C           6.0   -17.2592510602      -14.7042508180        7.9423142360
 C           6.0   -16.2588244532      -15.9415167831       10.0525977026
 C           6.0   -14.8214478443      -14.7055490597       11.8949709366
 C           6.0   -12.9934251895      -16.0357800948       13.2956452873
 C           6.0   -12.5915107076      -18.6116240147       12.8603884800
 C           6.0   -10.2655717112      -19.7904577626       13.2934758819
 C           6.0    -9.5663371909      -21.9392462860       11.8904866168
 C           6.0   -11.1877674418      -22.9226596900       10.0488862808
 C           6.0   -10.3196424409      -24.2542173127        7.9369927676
 C           6.0   -11.7176617266      -24.2545574634        5.6741063685
 C           6.0   -10.6294535679      -25.1008712470        3.4257425137
 C           6.0   -11.7886870778      -24.4992391843        1.1138364335
 C           6.0   -13.8166559702      -22.7904166653        0.9930999505
 C           6.0   -14.5329490469      -21.6512142509       -1.2889618762
 C           6.0   -16.0930539101      -19.5053925973       -1.2885126883
 C           6.0   -16.9518833489      -18.4762100299        0.9960934654
 C           6.0   -17.9494073368      -16.0192676691        1.1186847145
 C           6.0   -18.1619863927      -14.7342936817        3.4322715170
 C           6.0   -18.4868510769      -12.1077578622        3.5306865567
 C           6.0   -18.0552716764      -10.7832016743        5.7888032874
 C           6.0   -17.2925914958      -12.0678600775        7.9756074284
 C           6.0   -16.2412707885      -10.7818429613       10.0468718329
 C           6.0   -14.8633317311      -12.0690014719       11.9154102128
 C           6.0   -13.2512612930      -10.7855865085       13.5797693690
 C           6.0   -11.4268215587      -12.1122932046       14.9765300972
 C           6.0   -11.1950769019      -14.7391257111       14.7248431621
 C           6.0    -9.0309853775      -16.0269607436       15.5664042848
 C           6.0    -8.4752831049      -18.4821758948       14.7224337614
 C           6.0    -6.0482702244      -19.5144821793       14.9716886192
 C           6.0    -5.3503207178      -21.6581306480       13.5722274726
 C           6.0    -7.0709918187      -22.7931378708       11.9081744520
 C           6.0    -6.2728868347      -24.5002596363       10.0376726468
 C           6.0    -7.8224300193      -25.1012680894        7.9671868094
 C           6.0    -6.8373404284      -26.2231417166        5.7795530787
 C           6.0    -8.2321547388      -26.2228204631        3.5221166493
 C           6.0   -16.5306917721        0.9351860850        7.7449285771
 C           6.0   -14.9924642667        3.0518621167        7.7463798867
 C           6.0   -13.6175790066        3.0504656092        9.9724752105
 C           6.0   -14.3054014716        0.9327785741       11.3467179638
 C           6.0   -16.1061024680       -0.3745183684        9.9700828174
 C           6.0   -17.1255491672       -0.3111137152        5.5263052299
 C           6.0   -16.4710444610        0.8692225538        3.2539135091
 C           6.0   -14.9082599664        3.0212069818        3.2555367837
 C           6.0   -13.9896981789        4.0060981515        5.5298503558
 C           6.0   -11.7156189328        5.3424878036        5.6980378585
 C           6.0   -10.3182988457        5.3412273564        7.9609374856
 C           6.0   -11.1862254254        4.0037322146       10.0694257126
 C           6.0    -9.5648821019        3.0173273743       11.9091552198
 C           6.0   -10.2638822962        0.8649020733       13.3060898028
 C           6.0   -12.5890654021       -0.3147537054       12.8722124955
 C           6.0   -12.9923820608       -2.8907969914       13.3036936303
 C           6.0   -14.8217502005       -4.2198526169       11.9035843076
 C           6.0   -16.2599337223       -2.9816285607       10.0637187401
 C           6.0   -17.2595666445       -4.2186885457        7.9527171776
 C           6.0   -17.6915712334       -2.8876468181        5.6912121682
 C           6.0   -18.1607202762       -4.1849815032        3.4432867298
 C           6.0   -17.9452688369       -2.8963962495        1.1324678090
 C           6.0   -16.9452315134       -0.4399756421        1.0140613580
 C           6.0   -16.0838528342        0.5938327856       -1.2671695561
 C           6.0   -14.5247457464        2.7402954342       -1.2654327089
 C           6.0   -13.8091102943        3.8783432261        1.0167379659
 C           6.0   -11.7838607177        5.5902611162        1.1391905092
 C           6.0   -10.6268060618        6.1931441775        3.4514805816
 C           6.0    -8.2304936697        7.3176898772        3.5476279502
 C           6.0    -6.8360402969        7.3161705375        5.8050001288
 C           6.0    -7.8219273522        6.1910635892        7.9913904199
 C           6.0    -6.2733346998        5.5863777293       10.0613905977
 C           6.0    -7.0710787461        3.8746393632       11.9279050811
 C           6.0    -5.3507345678        2.7351175850       13.5892765804
 C           6.0    -6.0476163792        0.5878338505       14.9831989402
 C           6.0    -8.4736258152       -0.4452954097       14.7320335695
 C           6.0    -9.0296531207       -2.9015174069       15.5717106354
 C           6.0   -11.1936369307       -4.1887439477       14.7298943996
 C           6.0   -11.4262319642       -6.8154101583       14.9788431218
 C           6.0   -13.2509305910       -8.1414271044       13.5816534258
 C           6.0   -14.8639912455       -6.8566912225       11.9196450888
 C           6.0   -16.2413501570       -8.1431486448       10.0499842116
 C           6.0   -17.2932793561       -6.8554440033        7.9806586660
 C           6.0   -18.0553132504       -8.1391121901        5.7924183332
 C           6.0   -18.4864939187       -6.8119859748        3.5359267669
 C           6.0    -7.6871596537        7.3711899096       -9.9423454193
 C           6.0    -5.4630485422        7.3733158514      -11.3205452589
 C           6.0    -3.6639840484        8.6828713944       -9.9444354563
 C           6.0    -4.7762238525        9.4899658049       -7.7175369989
 C           6.0    -7.2636928468        8.6792317822       -7.7159534085
 C           6.0    -9.3398648697        5.3493361706      -10.0371907667
 C           6.0    -8.9018018193        3.5028924669      -11.8770336575
 C           6.0    -6.6434016297        3.5077396140      -13.2809885725
 C           6.0    -4.8064311224        5.3585032313      -12.8502557692
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 C           6.0     3.6724103366       -6.7561218951      -19.7105601478
 C           6.0     3.0532567345       -4.3392171589      -18.8381341305
 C           6.0     0.5211622389       -3.5220826343      -18.8301330307
 C           6.0    -1.4049349269       -5.1135248235      -19.6965194837
 C           6.0    -3.8951712360       -4.9627643739      -18.8214705268
 C           6.0    -5.4616841600       -7.1134407335      -18.8247492013
 C           6.0    -4.5465635634       -9.4326938794      -19.7015083603
 C           6.0    -5.4684153640      -11.7548288573      -18.8357152813
 C           6.0    -3.9038772037      -13.9055203348      -18.8347326237
 C           6.0    -1.4115249684      -13.7447575655      -19.7012626960
 C           6.0     0.5126728339      -15.3302149925      -18.8248323493
 C           6.0     3.0419221581      -14.5052154283      -18.8238156767
 C           6.0     3.6671606778      -12.0911169352      -19.6997320179
 C           6.0     5.7769906102      -10.7526939379      -18.8343811347
 C           6.0     5.7813048546       -8.0928800438      -18.8411501332
 C           6.0     7.6137041148       -6.7546668061      -17.4944803717
 C           6.0     7.2241144257       -4.1787454075      -16.9804163216
 C           6.0     4.8939103178       -3.0117696902      -17.4916268855
 C           6.0     4.2368374741       -0.6976123795      -16.3819608882
 C           6.0     1.7115580863        0.1176347246      -16.3747364658
 C           6.0    -0.1835319454       -1.3716286954      -17.4754300441
 C           6.0    -2.7531739169       -0.9548067320      -16.9527582920
 C           6.0    -4.5843996572       -2.8083425773      -17.4650932429
 C           6.0    -6.9886318909       -2.7233804969      -16.3562889607
 C           6.0    -8.5511045807       -4.8681023300      -16.3598265278
 C           6.0    -7.7271821604       -7.1256559223      -17.4731831599
 C           6.0    -8.9275379975       -9.4385369121      -16.9636544521
 C           6.0    -7.7343385527      -11.7518714361      -17.4850128445
 C           6.0    -8.5653682325      -14.0125563044      -16.3807306766
 C           6.0    -7.0055506077      -16.1583779580      -16.3808686266
 C           6.0    -4.5992604623      -16.0627710511      -17.4845271850
 C           6.0    -2.7668555330      -17.9113822705      -16.9639341315
 C           6.0    -0.1968164734      -17.4816453528      -17.4733778016
 C           6.0     1.6960041296      -18.9627577800      -16.3607732805
 C           6.0     4.2178513971      -18.1399521876      -16.3586171031
 C           6.0     4.8781424442      -15.8277496095      -17.4692185147
 C           6.0     7.2079232535      -14.6612141983      -16.9591965885
 C           6.0     7.6056973458      -12.0888606024      -17.4821480199
 C           6.0     9.6083552483      -10.7488596839      -16.3816226273
 C           6.0     9.6122726502       -8.0955521163      -16.3866285114
 C           6.0    -3.6688444237      -27.5621259624       -9.9674107448
 C           6.0    -5.4690881064      -26.2554749282      -11.3449378419
 C           6.0    -7.6948262720      -26.2620133801       -9.9696273934
 C           6.0    -7.2698514638      -27.5728407088       -7.7449172388
 C           6.0    -4.7804700668      -28.3783364110       -7.7439005662
 C           6.0    -1.1443649569      -26.8943156956      -10.0585881340
 C           6.0    -0.4146570933      -25.1390626092      -11.8949350318
 C           6.0    -2.2436943419      -23.8142891028      -13.2992905687
 C           6.0    -4.8170098085      -24.2368129363      -12.8714188106
 C           6.0    -6.6588652575      -22.3922136052      -13.3075732377
 C           6.0    -8.9201057052      -22.3979772695      -11.9078399705
 C           6.0    -9.3531798790      -24.2448253745      -10.0661564866
 C           6.0   -10.8899730823      -23.8363422050       -7.9547259563
 C           6.0   -10.4582935263      -25.1688257935       -5.6931982702
 C           6.0    -8.4856539212      -26.9201482499       -5.5256381566
 C           6.0    -7.2640915790      -27.4922249981       -3.2519538632
 C           6.0    -4.7340867424      -28.3122904878       -3.2507576667
 C           6.0    -3.4115827969      -28.5641153729       -5.5252394244
 C           6.0    -0.7869699625      -28.2986466661       -5.6890181963
 C           6.0     0.3410227863      -27.4645972042       -7.9482687626
 C           6.0     2.8569519989      -26.6760145495       -7.9744320189
 C           6.0     3.7533699774      -25.2698694421      -10.0394338714
 C           6.0     2.1030325880      -24.3561113380      -11.9065662952
 C           6.0     2.8242559599      -22.4211642073      -13.5651372207
 C           6.0     1.0010653345      -21.0998300022      -14.9668433618
 C           6.0    -1.5668880346      -21.6996101335      -14.7233653964
 C           6.0    -3.4604416623      -20.0452684148      -15.5729843107
 C           6.0    -5.9679398624      -20.2833738892      -14.7340555763
 C           6.0    -7.7003386027      -18.2965613391      -14.9869009134
 C           6.0    -9.9549536711      -18.3009379445      -13.5878347195
 C           6.0   -10.5045861438      -20.2899123411      -11.9261230695
 C           6.0   -12.3751181847      -20.0627483801      -10.0554209533
 C           6.0   -12.4684215156      -21.7238553179       -7.9856097481
 C           6.0   -13.8403852594      -21.1363584056       -5.7970179262
 C           6.0   -13.4093179746      -22.4646090078       -3.5404753373
 C           6.0   -11.6007746153      -24.3974207480       -3.4447229215
 C           6.0   -10.6684367253      -25.3127662220       -1.1330050581
 C           6.0    -8.4152843048      -26.7117114734       -1.0110034034
 C           6.0    -7.1104568562      -27.0399379802        1.2712596790
 C           6.0    -4.5874383366      -27.8595310384        1.2725953373
 C           6.0    -3.3413246744      -28.3577006033       -1.0108936104
 C           6.0    -0.6959881600      -28.5458417226       -1.1302129879
 C           6.0     0.5932970483      -28.3459087131       -3.4418883325
 C           6.0     3.1911613782      -27.8394810456       -3.5350423751
 C           6.0     4.3161360457      -27.0101181041       -5.7895383908

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

stripped...
...stripped

 TOTAL NUMBER OF SHELLS              =  540
 TOTAL NUMBER OF BASIS FUNCTIONS     = 2160
 NUMBER OF ELECTRONS                 = 2160
 CHARGE OF MOLECULE                  =    0
 STATE MULTIPLICITY                  =    1
 NUMBER OF OCCUPIED ORBITALS (ALPHA) = 1080
 NUMBER OF OCCUPIED ORBITALS (BETA ) = 1080
 TOTAL NUMBER OF ATOMS               =  540
 THE NUCLEAR REPULSION ENERGY IS   255282.1350654016

 THE PARAMETERS USED IN THIS CALCULATION ARE DESCRIBED IN:

  C: (PM3): J. J. P. STEWART, J. COMP. CHEM.     10, 209 (1989).                

 THERE ARE  540 HEAVY AND    0 LIGHT ATOMS,
 YIELDING A TOTAL OF  14553000 MOPAC 2E- INTEGRALS.

     $CONTRL OPTIONS
     ---------------
     SCFTYP=RHF          RUNTYP=GRADIENT     EXETYP=RUN     
     MPLEVL=       0     LOCAL =NONE         UNITS =ANGS    
     MULT  =       1     ICHARG=       0     MAXIT =      30
     NPRINT=      -5     IREST =       0     COORD =UNIQUE  
     ECP   =NONE         NORMF =       0     NORMP =       0
     ITOL  =      20     ICUT  =       9     NZVAR =       0
     NOSYM =       0     INTTYP=POPLE        GEOM  =INPUT   
     PLTORB=       F     MOLPLT=       F     RPAC  =       F
     AIMPAC=       F     FRIEND=             CITYP =NONE    
     DFTTYP=NONE    

     $SYSTEM OPTIONS
     ---------------
     KDIAG =       0     MEMORY=100000000     TIMLIM= 18000000.0 SEC.
     COREFL=       F     PTIME =        F     XDR   =       F
     BALTYP=LOOP    

          ----------------
          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
          SOSCF IN EFFECT

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

 ATTENTION! AO INTEGRALS WILL BE PACKED.
 THRESHOLD FOR PACKING PKTHR =  0.10000000D-01

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

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

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A   =2160

 ..... DONE SETTING UP THE RUN .....

 CPU        TIME:   STEP =      0.84 ,  TOTAL =        0.9 SECONDS (    0.0 MIN)
 WALL CLOCK TIME:   STEP =      2.08 ,  TOTAL =        2.1 SECONDS (    0.0 MIN)
 CPU UTILIZATION:   STEP =     40.53%,  TOTAL =      41.28%

                    --------------------------------
                    SINGLE POINT ENERGY AND GRADIENT
                    --------------------------------

 MOPAC ONE- AND TWO-ELECTRON INTEGRALS REQUIRE  19220760 WORDS.
 ...... END OF ONE- AND TWO-ELECTRON INTEGRALS......

 CPU        TIME:   STEP =      1.67 ,  TOTAL =        2.5 SECONDS (    0.0 MIN)
 WALL CLOCK TIME:   STEP =      4.17 ,  TOTAL =        6.2 SECONDS (    0.1 MIN)
 CPU UTILIZATION:   STEP =     40.13%,  TOTAL =      40.51%
 ...... END OF ONE-ELECTRON INTEGRALS ......

 CPU        TIME:   STEP =      0.30 ,  TOTAL =        2.8 SECONDS (    0.0 MIN)
 WALL CLOCK TIME:   STEP =      2.19 ,  TOTAL =        8.4 SECONDS (    0.1 MIN)
 CPU UTILIZATION:   STEP =     13.57%,  TOTAL =      33.53%

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

 INITIAL GUESS ORBITALS GENERATED BY HUCKEL   ROUTINE.

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.   BOTH SET(S).
  1080 ORBITALS ARE OCCUPIED (    0 CORE ORBITALS).
     1=A        2=A        3=A        4=A        5=A        6=A        7=A   
     8=A        9=A       10=A       11=A       12=A       13=A       14=A   
    15=A       16=A       17=A       18=A       19=A       20=A       21=A   
    22=A       23=A       24=A       25=A       26=A       27=A       28=A   
    29=A       30=A       31=A       32=A       33=A       34=A       35=A   
    36=A       37=A       38=A       39=A       40=A       41=A       42=A   
    43=A       44=A       45=A       46=A       47=A       48=A       49=A   
    50=A       51=A       52=A       53=A       54=A       55=A       56=A   
    57=A       58=A       59=A       60=A       61=A       62=A       63=A   
    64=A       65=A       66=A       67=A       68=A       69=A       70=A   
    71=A       72=A       73=A       74=A       75=A       76=A       77=A   
    78=A       79=A       80=A       81=A       82=A       83=A       84=A   
    85=A       86=A       87=A       88=A       89=A       90=A       91=A   
    92=A       93=A       94=A       95=A       96=A       97=A       98=A   
    99=A      100=A      101=A      102=A      103=A      104=A      105=A   
   106=A      107=A      108=A      109=A      110=A      111=A      112=A   
   113=A      114=A      115=A      116=A      117=A      118=A      119=A   
   120=A      121=A      122=A      123=A      124=A      125=A      126=A   
   127=A      128=A      129=A      130=A      131=A      132=A      133=A   
   134=A      135=A      136=A      137=A      138=A      139=A      140=A   
   141=A      142=A      143=A      144=A      145=A      146=A      147=A   
   148=A      149=A      150=A      151=A      152=A      153=A      154=A   
   155=A      156=A      157=A      158=A      159=A      160=A      161=A   
   162=A      163=A      164=A      165=A      166=A      167=A      168=A   
   169=A      170=A      171=A      172=A      173=A      174=A      175=A   
   176=A      177=A      178=A      179=A      180=A      181=A      182=A   
   183=A      184=A      185=A      186=A      187=A      188=A      189=A   
   190=A      191=A      192=A      193=A      194=A      195=A      196=A   
   197=A      198=A      199=A      200=A      201=A      202=A      203=A   
   204=A      205=A      206=A      207=A      208=A      209=A      210=A   
   211=A      212=A      213=A      214=A      215=A      216=A      217=A   
   218=A      219=A      220=A      221=A      222=A      223=A      224=A   
   225=A      226=A      227=A      228=A      229=A      230=A      231=A   
   232=A      233=A      234=A      235=A      236=A      237=A      238=A   
   239=A      240=A      241=A      242=A      243=A      244=A      245=A   
   246=A      247=A      248=A      249=A      250=A      251=A      252=A   
   253=A      254=A      255=A      256=A      257=A      258=A      259=A   
   260=A      261=A      262=A      263=A      264=A      265=A      266=A   
   267=A      268=A      269=A      270=A      271=A      272=A      273=A   
   274=A      275=A      276=A      277=A      278=A      279=A      280=A   
   281=A      282=A      283=A      284=A      285=A      286=A      287=A   
   288=A      289=A      290=A      291=A      292=A      293=A      294=A   
   295=A      296=A      297=A      298=A      299=A      300=A      301=A   
   302=A      303=A      304=A      305=A      306=A      307=A      308=A   
   309=A      310=A      311=A      312=A      313=A      314=A      315=A   
   316=A      317=A      318=A      319=A      320=A      321=A      322=A   
   323=A      324=A      325=A      326=A      327=A      328=A      329=A   
   330=A      331=A      332=A      333=A      334=A      335=A      336=A   
   337=A      338=A      339=A      340=A      341=A      342=A      343=A   
   344=A      345=A      346=A      347=A      348=A      349=A      350=A   
   351=A      352=A      353=A      354=A      355=A      356=A      357=A   
   358=A      359=A      360=A      361=A      362=A      363=A      364=A   
   365=A      366=A      367=A      368=A      369=A      370=A      371=A   
   372=A      373=A      374=A      375=A      376=A      377=A      378=A   
   379=A      380=A      381=A      382=A      383=A      384=A      385=A   
   386=A      387=A      388=A      389=A      390=A      391=A      392=A   
   393=A      394=A      395=A      396=A      397=A      398=A      399=A   
   400=A      401=A      402=A      403=A      404=A      405=A      406=A   
   407=A      408=A      409=A      410=A      411=A      412=A      413=A   
   414=A      415=A      416=A      417=A      418=A      419=A      420=A   
   421=A      422=A      423=A      424=A      425=A      426=A      427=A   
   428=A      429=A      430=A      431=A      432=A      433=A      434=A   
   435=A      436=A      437=A      438=A      439=A      440=A      441=A   
   442=A      443=A      444=A      445=A      446=A      447=A      448=A   
   449=A      450=A      451=A      452=A      453=A      454=A      455=A   
   456=A      457=A      458=A      459=A      460=A      461=A      462=A   
   463=A      464=A      465=A      466=A      467=A      468=A      469=A   
   470=A      471=A      472=A      473=A      474=A      475=A      476=A   
   477=A      478=A      479=A      480=A      481=A      482=A      483=A   
   484=A      485=A      486=A      487=A      488=A      489=A      490=A   
   491=A      492=A      493=A      494=A      495=A      496=A      497=A   
   498=A      499=A      500=A      501=A      502=A      503=A      504=A   
   505=A      506=A      507=A      508=A      509=A      510=A      511=A   
   512=A      513=A      514=A      515=A      516=A      517=A      518=A   
   519=A      520=A      521=A      522=A      523=A      524=A      525=A   
   526=A      527=A      528=A      529=A      530=A      531=A      532=A   
   533=A      534=A      535=A      536=A      537=A      538=A      539=A   
   540=A      541=A      542=A      543=A      544=A      545=A      546=A   
   547=A      548=A      549=A      550=A      551=A      552=A      553=A   
   554=A      555=A      556=A      557=A      558=A      559=A      560=A   
   561=A      562=A      563=A      564=A      565=A      566=A      567=A   
   568=A      569=A      570=A      571=A      572=A      573=A      574=A   
   575=A      576=A      577=A      578=A      579=A      580=A      581=A   
   582=A      583=A      584=A      585=A      586=A      587=A      588=A   
   589=A      590=A      591=A      592=A      593=A      594=A      595=A   
   596=A      597=A      598=A      599=A      600=A      601=A      602=A   
   603=A      604=A      605=A      606=A      607=A      608=A      609=A   
   610=A      611=A      612=A      613=A      614=A      615=A      616=A   
   617=A      618=A      619=A      620=A      621=A      622=A      623=A   
   624=A      625=A      626=A      627=A      628=A      629=A      630=A   
   631=A      632=A      633=A      634=A      635=A      636=A      637=A   
   638=A      639=A      640=A      641=A      642=A      643=A      644=A   
   645=A      646=A      647=A      648=A      649=A      650=A      651=A   
   652=A      653=A      654=A      655=A      656=A      657=A      658=A   
   659=A      660=A      661=A      662=A      663=A      664=A      665=A   
   666=A      667=A      668=A      669=A      670=A      671=A      672=A   
   673=A      674=A      675=A      676=A      677=A      678=A      679=A   
   680=A      681=A      682=A      683=A      684=A      685=A      686=A   
   687=A      688=A      689=A      690=A      691=A      692=A      693=A   
   694=A      695=A      696=A      697=A      698=A      699=A      700=A   
   701=A      702=A      703=A      704=A      705=A      706=A      707=A   
   708=A      709=A      710=A      711=A      712=A      713=A      714=A   
   715=A      716=A      717=A      718=A      719=A      720=A      721=A   
   722=A      723=A      724=A      725=A      726=A      727=A      728=A   
   729=A      730=A      731=A      732=A      733=A      734=A      735=A   
   736=A      737=A      738=A      739=A      740=A      741=A      742=A   
   743=A      744=A      745=A      746=A      747=A      748=A      749=A   
   750=A      751=A      752=A      753=A      754=A      755=A      756=A   
   757=A      758=A      759=A      760=A      761=A      762=A      763=A   
   764=A      765=A      766=A      767=A      768=A      769=A      770=A   
   771=A      772=A      773=A      774=A      775=A      776=A      777=A   
   778=A      779=A      780=A      781=A      782=A      783=A      784=A   
   785=A      786=A      787=A      788=A      789=A      790=A      791=A   
   792=A      793=A      794=A      795=A      796=A      797=A      798=A   
   799=A      800=A      801=A      802=A      803=A      804=A      805=A   
   806=A      807=A      808=A      809=A      810=A      811=A      812=A   
   813=A      814=A      815=A      816=A      817=A      818=A      819=A   
   820=A      821=A      822=A      823=A      824=A      825=A      826=A   
   827=A      828=A      829=A      830=A      831=A      832=A      833=A   
   834=A      835=A      836=A      837=A      838=A      839=A      840=A   
   841=A      842=A      843=A      844=A      845=A      846=A      847=A   
   848=A      849=A      850=A      851=A      852=A      853=A      854=A   
   855=A      856=A      857=A      858=A      859=A      860=A      861=A   
   862=A      863=A      864=A      865=A      866=A      867=A      868=A   
   869=A      870=A      871=A      872=A      873=A      874=A      875=A   
   876=A      877=A      878=A      879=A      880=A      881=A      882=A   
   883=A      884=A      885=A      886=A      887=A      888=A      889=A   
   890=A      891=A      892=A      893=A      894=A      895=A      896=A   
   897=A      898=A      899=A      900=A      901=A      902=A      903=A   
   904=A      905=A      906=A      907=A      908=A      909=A      910=A   
   911=A      912=A      913=A      914=A      915=A      916=A      917=A   
   918=A      919=A      920=A      921=A      922=A      923=A      924=A   
   925=A      926=A      927=A      928=A      929=A      930=A      931=A   
   932=A      933=A      934=A      935=A      936=A      937=A      938=A   
   939=A      940=A      941=A      942=A      943=A      944=A      945=A   
   946=A      947=A      948=A      949=A      950=A      951=A      952=A   
   953=A      954=A      955=A      956=A      957=A      958=A      959=A   
   960=A      961=A      962=A      963=A      964=A      965=A      966=A   
   967=A      968=A      969=A      970=A      971=A      972=A      973=A   
   974=A      975=A      976=A      977=A      978=A      979=A      980=A   
   981=A      982=A      983=A      984=A      985=A      986=A      987=A   
   988=A      989=A      990=A      991=A      992=A      993=A      994=A   
   995=A      996=A      997=A      998=A      999=A     1000=A     1001=A   
  1002=A     1003=A     1004=A     1005=A     1006=A     1007=A     1008=A   
  1009=A     1010=A     1011=A     1012=A     1013=A     1014=A     1015=A   
  1016=A     1017=A     1018=A     1019=A     1020=A     1021=A     1022=A   
  1023=A     1024=A     1025=A     1026=A     1027=A     1028=A     1029=A   
  1030=A     1031=A     1032=A     1033=A     1034=A     1035=A     1036=A   
  1037=A     1038=A     1039=A     1040=A     1041=A     1042=A     1043=A   
  1044=A     1045=A     1046=A     1047=A     1048=A     1049=A     1050=A   
  1051=A     1052=A     1053=A     1054=A     1055=A     1056=A     1057=A   
  1058=A     1059=A     1060=A     1061=A     1062=A     1063=A     1064=A   
  1065=A     1066=A     1067=A     1068=A     1069=A     1070=A     1071=A   
  1072=A     1073=A     1074=A     1075=A     1076=A     1077=A     1078=A   
  1079=A     1080=A     1081=A     1082=A     1083=A     1084=A     1085=A   
  1086=A     1087=A     1088=A     1089=A     1090=A   
 ...... END OF INITIAL ORBITAL SELECTION ......

 CPU        TIME:   STEP =     54.67 ,  TOTAL =       57.5 SECONDS (    1.0 MIN)
 WALL CLOCK TIME:   STEP =     57.48 ,  TOTAL =       65.9 SECONDS (    1.1 MIN)
 CPU UTILIZATION:   STEP =     95.12%,  TOTAL =      87.23%

 ITER EX DEM  TOTAL ENERGY      E CHANGE  DENSITY CHANGE     ORB. GRAD
   1  0  0 -2335.263777938 -2335.263777938   0.153331764   0.000000000
          ---------------START SECOND ORDER SCF---------------
   2  1  0 -2348.132771392   -12.868993454   0.047117143   0.032305689
   3  2  0 -2349.250634912    -1.117863519   0.020536297   0.009607767
   4  3  0 -2349.366902778    -0.116267867   0.003679608   0.001627968
   5  4  0 -2349.369264967    -0.002362188   0.009414155   0.001221060
   6  5  0 -2349.371782628    -0.002517661   0.001108437   0.000299588
   7  6  0 -2349.371855158    -0.000072530   0.000261077   0.000113652
   8  7  0 -2349.371869263    -0.000014105   0.000100844   0.000017653
   9  8  0 -2349.371869970    -0.000000707   0.000037497   0.000014414
  10  9  0 -2349.371870148    -0.000000179   0.000013688   0.000004985
  11 10  0 -2349.371870172    -0.000000024   0.000009413   0.000001437
  12 11  0 -2349.371870173    -0.000000002   0.000003442   0.000000482
  13 12  0 -2349.371870177    -0.000000003   0.000001052   0.000000506

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       4.3 SECONDS (       0.3 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=     185.8 SECONDS (      14.3 SEC/ITER)

 FINAL ENERGY IS    -2349.3718701769 AFTER  13 ITERATIONS

 HEAT OF FORMATION IS     3123.66310 KCAL/MOL
 ...... END OF RHF CALCULATION ......

 CPU        TIME:   STEP =    215.06 ,  TOTAL =      272.6 SECONDS (    4.5 MIN)
 WALL CLOCK TIME:   STEP =    267.92 ,  TOTAL =      333.8 SECONDS (    5.6 MIN)
 CPU UTILIZATION:   STEP =     80.27%,  TOTAL =      81.65%
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..... END OF SINGLE POINT GRADIENT .....

 CPU        TIME:   STEP =      8.78 ,  TOTAL =      281.3 SECONDS (    4.7 MIN)
 WALL CLOCK TIME:   STEP =     15.27 ,  TOTAL =      349.1 SECONDS (    5.8 MIN)
 CPU UTILIZATION:   STEP =     57.52%,  TOTAL =      80.59%

                         I/O STATISTICS:
 DATA READ TOTAL =     2043.258 MB,  DATA WRITTEN TOTAL =     1890.712 MB

    61276877 WORDS OF    DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY 18:14:01 LT  11-AUG-2006