%chk=000111352.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111352

0 1
 O   -1.884300      0.1640000      0.6013000    
 O   -3.031900       1.795700     -0.5575000    
 C   -4.222100     -0.1179000      0.3592000    
 C   -4.909100     -0.5889000     -0.9308000    
 C    2.284400      -1.616800       1.270200    
 C    1.199400     -0.8612000      0.5320000    
 C    3.680000      -1.453800      0.6537000    
 C   -5.181000      0.6975000       1.222200    
 C   -3.003300      0.7381000      5.8800001E-02
 C   -3.986400      -1.417800      -1.815300    
 C   0.4376000      0.1121000       1.068600    
 C  -0.6694000      0.8783000      0.4175000    
 C    4.130000     -1.9600000E-02  0.6127000    
 C   0.9756000      -1.292900     -0.8948000    
 C    4.556200      0.6877000     -0.4507000    
 C    4.976400       2.124400     -0.2890000    
 C    4.647800      0.1711000      -1.858200    
 H   -3.906400     -0.9984000      0.9332000    
 H   -5.790100      -1.190100     -0.6760000    
 H   -5.265200      0.2735000      -1.507700    
 H    2.023700      -2.682400       1.291900    
 H    2.316100      -1.293100       2.319000    
 H    4.395000      -2.010900       1.272200    
 H    3.701400      -1.930800     -0.3292000    
 H   -5.543300       1.585200      0.6917000    
 H   -6.049500      9.7199999E-02   1.512300    
 H   -4.685300       1.040200       2.137200    
 H   -3.139100     -0.8284000      -2.178900    
 H   -4.534800      -1.785400      -2.688500    
 H   -3.596500      -2.284000      -1.271300    
 H   0.6172000      0.3728000       2.110600    
 H  -0.7454000       1.862700      0.8948000    
 H  -0.4770000       1.040000     -0.6490000    
 H    4.119600      0.4775000       1.582400    
 H  -8.3999997E-03  -1.020100      -1.285600    
 H    1.735200     -0.8585000      -1.551200    
 H    1.038900      -2.384100     -0.9727000    
 H    6.020400       2.250500     -0.5940000    
 H    4.889000       2.472000      0.7458000    
 H    4.351400       2.774100     -0.9106000    
 H    3.986500      0.7489000      -2.512700    
 H    4.374600     -0.8799000      -1.964300    
 H    5.673200      0.2756000      -2.228800    


%chk=000111352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111352

0 1
O -2.044967 -0.152900 0.309063
O -3.098317 1.571892 -0.855110
C -4.447331 0.027203 0.530356
C -5.426104 -0.410739 -0.596205
C 2.389676 -1.731186 1.033981
C 1.347316 -1.154571 0.082706
C 3.865632 -1.369428 0.673068
C -5.086704 1.111486 1.435870
C -3.165782 0.581526 -0.087184
C -4.883116 -1.552975 -1.480827
C 0.359993 -0.343322 0.561985
C -0.717710 0.330735 -0.230953
C 4.134782 0.120814 0.730294
C 1.506777 -1.544550 -1.375877
C 4.756220 0.906988 -0.195630
C 4.931763 2.399176 0.043527
C 5.326765 0.410186 -1.513452
H -4.173642 -0.854136 1.138733
H -6.372986 -0.727463 -0.116231
H -5.658379 0.473706 -1.220516
H 2.303059 -2.838758 1.036111
H 2.179915 -1.390467 2.066189
H 4.519405 -1.892802 1.402809
H 4.120042 -1.785660 -0.318369
H -5.314349 2.017181 0.846136
H -6.027444 0.731289 1.873462
H -4.413924 1.398180 2.264086
H -3.965448 -1.244629 -2.014891
H -5.627963 -1.850475 -2.241138
H -4.637095 -2.445744 -0.876137
H 0.337305 -0.126108 1.639179
H -0.703014 1.431032 -0.115199
H -0.687409 0.102736 -1.309359
H 3.769247 0.612677 1.646606
H 0.610836 -1.328823 -1.980664
H 2.357832 -1.005731 -1.836494
H 1.724120 -2.626407 -1.464038
H 6.002582 2.684768 0.019308
H 4.515474 2.710060 1.017393
H 4.429537 2.989777 -0.748831
H 4.890583 0.971452 -2.363801
H 5.152964 -0.664564 -1.686963
H 6.420960 0.582674 -1.552492


