%chk=000003322.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003322

0 1
 O   -4.782100     -0.1812000       1.423400    
 C    2.802200      -1.928500      6.9200002E-02
 C    3.309100      -1.216900      -1.187900    
 C    1.488800      -2.685100     -0.1546000    
 C    4.619000     -0.4489000     -0.9652000    
 C   0.9694000      -3.380600       1.104900    
 C    4.565300      0.6443000      0.1082000    
 C  -0.2933000      -4.178100      0.8169000    
 C    3.586800       1.734800     -0.2186000    
 C    2.583800       2.100900      0.5935000    
 C    1.589600       3.171400      0.2616000    
 C   0.2388000       2.597500      0.2348000    
 C  -0.8603000       2.114700      0.2128000    
 C   -4.521400      0.4074000      0.1522000    
 C   -2.107800       1.544900      0.1912000    
 C   -3.194800       1.034800      0.1749000    
 C   -4.562700     -0.6611000     -0.8993000    
 C   -5.430400     -0.6704000      -1.918000    
 H    2.638800      -1.201600      0.8721000    
 H    3.568600      -2.628700      0.4231000    
 H    3.472700      -1.959600      -1.978500    
 H    2.536800     -0.5333000      -1.560000    
 H   0.7270000      -1.985100     -0.5202000    
 H    1.639300      -3.430600     -0.9452000    
 H    4.926700     -4.6000001E-03  -1.920500    
 H    5.405200      -1.163900     -0.6916000    
 H   0.7605000      -2.635100       1.880700    
 H    1.737800      -4.054900       1.500000    
 H    5.560300       1.101100      0.1806000    
 H    4.364200      0.2059000       1.091800    
 H  -0.6498000      -4.665400       1.729700    
 H  -0.1053000      -4.954600      6.8499997E-02
 H   -1.091400      -3.527600      0.4449000    
 H    3.713600       2.239400      -1.173200    
 H    2.469900       1.600600       1.553000    
 H    1.814400       3.639900     -0.7033000    
 H    1.647500       3.958000       1.022200    
 H   -5.294000       1.163700     -2.7200000E-02
 H   -3.856400      -1.484600     -0.8164000    
 H   -4.824100      0.5371000       2.078000    
 H   -5.417000      -1.476700      -2.643200    
 H   -6.163200      0.1183000      -2.047100    


%chk=000003322-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003322

0 1
O -3.894423 -1.636530 0.680107
C 2.673575 -1.780785 0.259272
C 3.272100 -1.204098 -1.044171
C 1.287976 -2.430565 0.039114
C 4.673469 -0.562691 -0.889419
C 0.652089 -2.984992 1.334599
C 4.728287 0.650647 0.088070
C -0.724736 -3.642831 1.094484
C 3.735483 1.732168 -0.280841
C 2.735764 2.170916 0.525063
C 1.674313 3.188566 0.111919
C 0.345351 2.550974 0.075372
C -0.722144 1.915914 0.061141
C -4.140809 -0.324740 0.014016
C -1.885165 1.189504 0.039731
C -2.927324 0.512729 0.024689
C -4.587878 -0.645950 -1.400972
C -5.780716 -0.267423 -1.916976
H 2.571729 -0.972986 1.011910
H 3.371810 -2.529132 0.690664
H 3.334729 -2.014045 -1.799967
H 2.569545 -0.449806 -1.452853
H 0.602552 -1.680634 -0.408386
H 1.379332 -3.251412 -0.703190
H 5.027094 -0.230487 -1.887261
H 5.396732 -1.326486 -0.537891
H 0.548873 -2.158924 2.068280
H 1.341676 -3.723464 1.793366
H 5.758845 1.061711 0.069650
H 4.540085 0.312349 1.124471
H -1.163562 -4.023532 2.036019
H -0.635874 -4.498282 0.398185
H -1.442030 -2.928830 0.646662
H 3.823064 2.147463 -1.298600
H 2.620723 1.748085 1.533402
H 1.918253 3.605194 -0.885097
H 1.655285 4.043149 0.819091
H -4.956502 0.208923 0.547484
H -3.863227 -1.222029 -1.989961
H -3.359676 -1.475638 1.501617
H -6.061874 -0.516872 -2.945655
H -6.510697 0.302472 -1.328936


