%chk=000041559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041559

0 1
 O    2.845600      -3.295400       1.146900    
 C    3.128900      -2.388600      7.2600000E-02
 C    1.807500      -2.124400     -0.6862000    
 C    3.659000      -1.093900      0.7384000    
 C   0.6359000      -1.531700      0.1166000    
 C  -0.6642000      -1.367600     -0.6721000    
 C    3.735900      0.1415000     -0.1640000    
 C   -1.806200     -0.7744000      0.1618000    
 C    4.191100      -3.037900     -0.8198000    
 C    4.349000       1.330300      0.5826000    
 C   -3.157500     -0.6592000     -0.5524000    
 C   -4.243200     -8.8999998E-03  0.3086000    
 C    4.467500       2.556200     -0.3247000    
 C   -5.571600      0.1766000     -0.4314000    
 C   -6.664800      0.8051000      0.4360000    
 C    5.109200       3.732500      0.4108000    
 C   -7.970700      0.9583000     -0.3449000    
 C    5.198600       4.963100     -0.4776000    
 C   -9.050000       1.618200      0.4987000    
 H    1.998100      -1.492900      -1.562600    
 H    1.457900      -3.087400      -1.084400    
 H    3.033800     -0.8552000       1.610100    
 H    4.651900      -1.297800       1.162900    
 H   0.4394000      -2.176400      0.9822000    
 H   0.9199000     -0.5535000      0.5193000    
 H  -0.9748000      -2.345500      -1.059700    
 H  -0.4831000     -0.7244000      -1.541700    
 H    4.346200     -8.4500000E-02  -1.045800    
 H    2.742600      0.4288000     -0.5222000    
 H   -1.941100      -1.387200       1.062200    
 H   -1.503000      0.2218000      0.5082000    
 H    3.838500      -4.005300      -1.195100    
 H    4.441300      -2.406700      -1.677600    
 H    5.109100      -3.240600     -0.2568000    
 H    3.730900       1.575300       1.454900    
 H    5.342900       1.055700      0.9565000    
 H   -3.488100      -1.657800     -0.8626000    
 H   -3.024200     -7.0699997E-02  -1.468500    
 H   -3.890300      0.9695000      0.6573000    
 H   -4.408600     -0.6229000       1.202300    
 H    5.068000       2.305200      -1.207500    
 H    3.471500       2.844100     -0.6827000    
 H    3.674900      -3.462000       1.626700    
 H   -5.916400     -0.7991000     -0.7960000    
 H   -5.404500      0.8042000      -1.315500    
 H   -6.835500      0.1813000       1.321600    
 H   -6.328700       1.786700      0.7912000    
 H    6.115400       3.457000      0.7477000    
 H    4.523400       3.977400       1.304400    
 H   -7.799200       1.562700      -1.243200    
 H   -8.323300     -2.4900001E-02 -0.6775000    
 H    5.804100       4.761600      -1.367000    
 H    4.204300       5.284500     -0.8040000    
 H    5.661300       5.791600      6.7800000E-02
 H   -9.268000       1.023500       1.391600    
 H   -9.974800       1.716600     -7.8299999E-02
 H   -8.741100       2.618400      0.8186000    


%chk=000041559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041559

0 1
O 2.607218 -3.239138 1.071551
C 3.001560 -2.254873 0.016134
C 1.680278 -1.967543 -0.736335
C 3.603492 -1.009510 0.723125
C 0.571361 -1.302734 0.107872
C -0.787132 -1.272582 -0.627858
C 3.957618 0.185906 -0.191266
C -1.909113 -0.590095 0.186374
C 4.023944 -2.930482 -0.924882
C 4.596584 1.357792 0.588917
C -3.280578 -0.612314 -0.525281
C -4.407572 0.062885 0.288308
C 4.947433 2.569517 -0.303221
C -5.784114 0.009230 -0.412137
C -6.915094 0.677694 0.401609
C 5.604161 3.731684 0.476723
C -8.293208 0.609833 -0.295454
C 5.954966 4.939315 -0.419031
C -9.418678 1.277143 0.524472
H 1.903421 -1.346560 -1.627073
H 1.306801 -2.940881 -1.112426
H 2.889074 -0.678251 1.501401
H 4.523677 -1.329431 1.261042
H 0.469724 -1.860940 1.057970
H 0.862006 -0.265097 0.372834
H -1.091845 -2.313152 -0.866700
H -0.673196 -0.751567 -1.602490
H 4.657236 -0.138774 -0.988035
H 3.042665 0.546726 -0.703449
H -1.999990 -1.092617 1.172101
H -1.622035 0.461129 0.399698
H 3.603215 -3.871986 -1.320112
H 4.283129 -2.282016 -1.781519
H 4.961929 -3.169013 -0.386252
H 3.904792 1.682983 1.394052
H 5.516478 0.999019 1.097037
H -3.563497 -1.664961 -0.736904
H -3.190710 -0.111699 -1.512446
H -4.136032 1.121500 0.484264
H -4.483614 -0.426357 1.282172
H 5.630765 2.242868 -1.115139
H 4.026910 2.938449 -0.802230
H 3.416221 -3.466259 1.598573
H -6.052223 -1.050256 -0.608618
H -5.709481 0.498942 -1.405984
H -6.985769 0.193074 1.398168
H -6.653734 1.739976 0.591751
H 6.522791 3.360700 0.975867
H 4.921120 4.057974 1.287643
H -8.221712 1.094698 -1.290727
H -8.552097 -0.451912 -0.485961
H 6.664495 4.648842 -1.216750
H 5.049734 5.346105 -0.908148
H 6.418957 5.755693 0.164679
H -9.531270 0.790252 1.511763
H -10.392426 1.215282 0.004238
H -9.197937 2.346685 0.702793


