%chk=000122990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122990

0 1
 O    2.349600      -2.397700     -0.7663000    
 O   -3.021400      -1.459100       1.966900    
 O   -5.873300     -0.3654000      8.2000000E-03
 O    5.065100      -1.276800       1.291200    
 C  -0.7561000     -0.3144000      4.4000000E-03
 C    2.251500     -3.1999999E-03 -0.2225000    
 C    1.360600      0.9598000      0.6091000    
 C   -2.152300     -0.2541000     -0.7399000    
 C  -4.1000001E-02   1.047700      7.0900001E-02
 C    1.635400      -1.406900     -3.1900000E-02
 C   0.1749000      -1.440700     -0.5379000    
 C   -2.849000       1.033400     -0.2944000    
 C    2.235100       2.194100      0.8633000    
 C   -3.037500      -1.509600     -0.4513000    
 C    3.575800      0.3185000      0.4291000    
 C  -0.6523000       2.206900     -0.2308000    
 C   -2.103300       2.310600     -0.6007000    
 C    2.364700      0.3805000      -1.717800    
 C   -1.972100     -0.2017000      -2.282300    
 C    3.577300       1.534300      0.9971000    
 C   -3.874200      -1.428300      0.8284000    
 C   -4.007000       1.055100      0.3880000    
 C   -4.740600     -0.1672000      0.8508000    
 C    4.786600     -0.4824000      0.3815000    
 C    5.703800     -0.3334000     -0.8133000    
 H  -0.9381000     -0.5707000       1.055300    
 H    1.225300      0.5160000       1.614200    
 H    1.666700      -1.703500       1.023300    
 H  -0.2430000      -2.420700     -0.2760000    
 H   0.1903000      -1.434500      -1.632400    
 H    1.943700       2.703000       1.787200    
 H    2.239200       2.912400      3.7799999E-02
 H   -2.412600      -2.408100     -0.4137000    
 H   -3.731500      -1.666100      -1.288800    
 H  -0.1112000       3.146000     -0.1655000    
 H   -2.536600       3.150800     -4.4000000E-02
 H   -2.191500       2.557200      -1.664700    
 H    2.741700       1.401400      -1.852700    
 H    3.054900     -0.2834000      -2.250000    
 H    1.403000      0.3368000      -2.236800    
 H   -2.905700      9.3000002E-02  -2.777800    
 H   -1.199300      0.5094000      -2.591800    
 H   -1.697500      -1.181500      -2.688900    
 H    4.429500       2.004100       1.467400    
 H   -4.510700      -2.319200      0.8828000    
 H   -4.445900       2.009900      0.6679000    
 H   -5.107800      7.4000000E-03   1.868500    
 H    2.220400      -2.239800      -1.716100    
 H   -2.750500     -0.5511000       2.181200    
 H   -5.567200     -0.4267000     -0.9124000    
 H    5.442400      0.5517000      -1.399800    
 H    5.618400      -1.221000      -1.445100    
 H    6.732900     -0.2172000     -0.4628000    


%chk=000122990-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122990

0 1
O 2.504918 -2.300862 -0.976215
O -2.964787 -1.332007 2.106657
O -5.891094 -0.623601 -0.162096
O 5.852968 0.007727 1.340297
C -0.703810 -0.293861 -0.028243
C 2.335737 0.154498 -0.266583
C 1.350247 1.010295 0.629628
C -2.125788 -0.267095 -0.733474
C -0.054384 1.091271 0.084406
C 1.754177 -1.289732 -0.200004
C 0.274110 -1.325596 -0.680031
C -2.871590 0.992859 -0.259659
C 2.163139 2.268074 1.011225
C -2.931476 -1.563728 -0.399555
C 3.673668 0.478306 0.460019
C -0.712034 2.252246 -0.173990
C -2.177323 2.307319 -0.575443
C 2.409160 0.672427 -1.730332
C -1.980500 -0.168057 -2.286133
C 3.554761 1.674337 1.120776
C -3.784000 -1.478507 0.881161
C -4.066660 0.968984 0.402789
C -4.787247 -0.307017 0.783761
C 5.013411 -0.206893 0.412718
C 5.369994 -1.103545 -0.759831
H -0.876671 -0.657905 1.008799
H 1.276051 0.424681 1.576898
H 1.835706 -1.656956 0.839533
H -0.095635 -2.352050 -0.505692
H 0.287148 -1.175364 -1.777302
H 1.815533 2.738719 1.948716
H 2.131479 3.052508 0.225288
H -2.244986 -2.425433 -0.322340
H -3.623407 -1.793232 -1.235334
H -0.195664 3.213308 -0.050779
H -2.680297 3.138624 -0.045540
H -2.264602 2.543985 -1.658892
H 2.770753 1.715167 -1.756785
H 3.114918 0.067339 -2.328579
H 1.423213 0.653264 -2.227425
H -2.954041 0.087926 -2.743889
H -1.247061 0.601713 -2.586307
H -1.661824 -1.134769 -2.714546
H 4.390573 2.154002 1.639351
H -4.335919 -2.420684 1.032295
H -4.548733 1.915930 0.679805
H -5.303074 -0.199244 1.753447
H 2.303834 -2.170454 -1.938503
H -2.714946 -0.374957 2.197939
H -5.603204 -0.354874 -1.071986
H 5.351132 -0.524608 -1.704073
H 4.623988 -1.912776 -0.859365
H 6.379740 -1.516103 -0.610481


