%chk=000112053.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112053

0 1
 O   -2.354600      0.1504000      0.7396000    
 O   -3.837600     -0.7592000     -0.7760000    
 C   0.7536000      0.6557000      0.5908000    
 C   0.9746000      0.7389000     -0.9377000    
 C   1.8700000E-02   1.835300       1.262200    
 C    2.162300      0.3899000       1.149300    
 C    1.996000     -0.4027000      -1.172700    
 C    2.772500     -0.4923000      0.1063000    
 C   -1.239700       2.305000      0.5125000    
 C  -0.2470000      0.5846000      -1.833700    
 C   -2.086900       1.222300     -0.1532000    
 C   0.8972000       3.064200       1.535900    
 C   -1.532300      0.7188000      -1.454400    
 C    3.842500      -1.271900      0.2947000    
 C   4.3000001E-02  0.2699000      -3.284500    
 C    4.577000      -1.314700       1.604200    
 C    4.383900      -2.157900     -0.7907000    
 C   -3.258700     -0.7821000      0.3014000    
 C   -3.429100      -1.847100       1.359400    
 C   -4.435300      -2.907100      0.9465000    
 H   0.1607000     -0.2504000      0.7922000    
 H    1.455900       1.696100      -1.183400    
 H  -0.3097000       1.471500       2.246600    
 H    2.090500     -8.1000000E-02   2.134300    
 H    2.763300       1.301100       1.218900    
 H    2.638100     -0.1632000      -2.027300    
 H    1.485500      -1.356900      -1.353200    
 H  -0.9725000       3.061900     -0.2379000    
 H   -1.872500       2.824800       1.246000    
 H   -3.044700       1.710300     -0.3868000    
 H    1.661900       2.849000       2.288400    
 H    1.392200       3.413600      0.6241000    
 H   0.2967000       3.891800       1.930500    
 H   -2.290900      0.5591000      -2.220900    
 H  -0.8475000      0.3541000      -3.917000    
 H   0.4268000     -0.7486000      -3.396200    
 H   0.7847000      0.9715000      -3.680900    
 H    5.648200      -1.158500       1.434600    
 H    4.260500     -0.5526000       2.320500    
 H    4.446300      -2.294800       2.074600    
 H    5.400700      -1.847500      -1.053900    
 H    4.424000      -3.194400     -0.4386000    
 H    3.791300      -2.155300      -1.708900    
 H   -2.456200      -2.317900       1.535300    
 H   -3.767700      -1.366300       2.283200    
 H   -4.120600      -3.410500      2.6300000E-02
 H   -4.537500      -3.662200       1.732000    
 H   -5.420700      -2.464800      0.7659000    


%chk=000112053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112053

0 1
O -2.345794 -0.040919 0.629331
O -4.243555 -0.590605 -0.615474
C 0.710975 0.569952 0.551488
C 1.031774 0.716430 -0.966973
C -0.035988 1.739200 1.251761
C 2.084364 0.220620 1.192844
C 2.096240 -0.409832 -1.204392
C 2.861878 -0.536196 0.113334
C -1.318058 2.194729 0.495175
C -0.141583 0.597577 -1.939034
C -2.091980 1.139721 -0.307739
C 0.833423 2.994186 1.520377
C -1.464846 0.710827 -1.618480
C 4.036371 -1.205380 0.293895
C 0.239695 0.337615 -3.391303
C 4.743236 -1.272046 1.638628
C 4.746814 -1.948193 -0.826736
C -3.456720 -0.831860 0.330227
C -3.546196 -2.010780 1.290717
C -4.958416 -2.623004 1.350971
H 0.058113 -0.321170 0.642090
H 1.538793 1.693413 -1.140246
H -0.361733 1.340810 2.234833
H 1.958529 -0.363685 2.123861
H 2.630116 1.144622 1.469110
H 2.751268 -0.189554 -2.066261
H 1.569963 -1.361108 -1.431954
H -1.047480 2.988216 -0.230044
H -2.005957 2.660037 1.227516
H -3.098513 1.530907 -0.548060
H 1.620248 2.810474 2.272849
H 1.322887 3.351561 0.593882
H 0.203507 3.820366 1.901089
H -2.196551 0.534323 -2.418672
H -0.646874 0.341638 -4.047992
H 0.753818 -0.633594 -3.516759
H 0.940866 1.115097 -3.754814
H 5.785187 -0.902533 1.552647
H 4.236504 -0.675520 2.414521
H 4.810941 -2.318124 2.001048
H 5.752576 -1.519282 -1.013212
H 4.906048 -3.010749 -0.552571
H 4.186253 -1.927151 -1.775631
H -2.814656 -2.767752 0.942026
H -3.195391 -1.683371 2.285526
H -5.307777 -2.895352 0.340818
H -4.960070 -3.528636 1.982979
H -5.685353 -1.906021 1.771103


