%chk=000017793.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017793

0 1
 O   -4.223700     -0.2029000      -1.267600    
 O    6.303300       1.148500      0.7842000    
 C   -1.795200     -0.4920000     -0.9817000    
 C  -0.9850000     -0.9479000      0.2418000    
 C   0.4089000      -1.492900     -9.7400002E-02
 C    1.246500     -0.5242000      -1.010200    
 C   -3.163300     -0.1451000     -0.3154000    
 C   -1.023400      0.6717000      -1.614300    
 C    2.322600      0.3301000     -0.2297000    
 C   -1.946000      -1.875800      0.9826000    
 C   0.3868000      0.2549000      -2.050600    
 C   -3.339700      -1.269700      0.7391000    
 C    1.143800      -1.907200       1.191000    
 C   -2.001200      -1.612300      -2.040600    
 C    3.219600     -0.6189000      0.5798000    
 C    2.649700      -1.951100       1.005000    
 C   -3.242000       1.236200      0.3477000    
 C    3.245500       1.091900      -1.227100    
 C    1.663300       1.359500      0.7127000    
 C    4.431300       1.784500     -0.5601000    
 C    4.507400     -0.3581000      0.8620000    
 C   -4.560900       1.466900       1.034000    
 C    5.171400      0.8758000      0.3870000    
 C   -5.668900       2.059600      0.2118000    
 C   -4.750900       1.118400       2.316100    
 H  -0.8336000     -8.3300002E-02  0.9000000    
 H   0.2760000      -2.416600     -0.6777000    
 H    1.856500      -1.199500      -1.634800    
 H  -0.9237000       1.504500     -0.9101000    
 H   -1.571400       1.065200      -2.479200    
 H   -1.716100      -1.922800       2.052300    
 H   -1.901500      -2.898400      0.5911000    
 H   0.2891000     -0.3835000      -2.938800    
 H   0.9012000       1.143900      -2.421200    
 H   -4.004900      -2.052400      0.3512000    
 H   -3.767400     -0.9888000       1.694900    
 H   0.7896000      -2.897600       1.504100    
 H   0.9028000      -1.230500       2.019500    
 H   -2.606300      -2.441000      -1.658700    
 H   -2.514600      -1.217200      -2.925000    
 H   -1.061900      -2.048300      -2.390200    
 H    2.894800      -2.699400      0.2404000    
 H    3.110600      -2.286700       1.942200    
 H   -3.112200       2.027900     -0.4014000    
 H   -2.432500       1.374100       1.074400    
 H    2.692200       1.861800      -1.774300    
 H    3.628700      0.3872000      -1.978400    
 H    1.082100       2.095500      0.1482000    
 H   0.9989000      0.9005000       1.446000    
 H    2.405200       1.915400       1.296500    
 H   -4.041400      0.4608000      -1.954900    
 H    4.107600       2.669700     -3.3000000E-03
 H    5.131200       2.113600      -1.336500    
 H    5.119300      -1.053800       1.426900    
 H   -6.549600       2.287700      0.8225000    
 H   -5.341600       2.999000     -0.2457000    
 H   -5.991800       1.380000     -0.5804000    
 H   -3.948800      0.7238000       2.930700    
 H   -5.710500       1.266100       2.800900    


%chk=000017793-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017793

0 1
O -4.311864 -0.253623 -1.400355
O 6.294790 1.280766 0.911516
C -1.788233 -0.515372 -1.102498
C -1.002954 -1.028598 0.141675
C 0.403276 -1.585478 -0.169851
C 1.291054 -0.594982 -1.025683
C -3.185917 -0.147517 -0.438439
C -0.963770 0.631379 -1.734266
C 2.259941 0.315677 -0.166154
C -2.011676 -1.969661 0.848888
C 0.454896 0.135084 -2.132556
C -3.398154 -1.285094 0.613459
C 1.115938 -2.032826 1.141585
C -2.034711 -1.636381 -2.151347
C 3.187040 -0.629522 0.628962
C 2.650443 -2.003726 1.003830
C -3.191879 1.287687 0.187646
C 3.156218 1.185379 -1.106960
C 1.517418 1.263995 0.827410
C 4.309723 1.903697 -0.372978
C 4.470297 -0.276479 0.962808
C -4.367070 1.628560 1.098576
C 5.117331 0.978627 0.540853
C -5.743777 1.733680 0.468801
C -4.171392 1.852099 2.427301
H -0.861255 -0.151332 0.807982
H 0.269496 -2.493498 -0.794994
H 1.998893 -1.242231 -1.589029
H -0.875394 1.473699 -1.022983
H -1.462741 1.029439 -2.642993
H -1.789768 -2.095590 1.923390
H -1.983006 -2.977106 0.391107
H 0.341063 -0.569136 -2.978983
H 1.031247 0.985089 -2.539972
H -4.145557 -1.991504 0.213396
H -3.810734 -0.869680 1.548697
H 0.784861 -3.051897 1.415322
H 0.815040 -1.376623 1.981467
H -2.723964 -2.407328 -1.770881
H -2.501112 -1.217484 -3.060638
H -1.096899 -2.132894 -2.452426
H 2.947580 -2.718165 0.204967
H 3.142141 -2.362261 1.927462
H -3.157523 2.019307 -0.650069
H -2.257359 1.425358 0.763011
H 2.537892 1.945856 -1.619492
H 3.580393 0.528489 -1.893580
H 0.846414 1.947502 0.276231
H 0.914792 0.712298 1.565657
H 2.241048 1.875792 1.393314
H -4.251253 0.502106 -2.040272
H 3.922476 2.732561 0.253619
H 5.009706 2.370348 -1.089726
H 5.098470 -0.954395 1.556073
H -6.505214 2.035616 1.208582
H -5.745488 2.479989 -0.351341
H -6.037167 0.769019 0.016964
H -3.176787 1.783757 2.885308
H -5.001360 2.114333 3.093910


