%chk=000080004.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080004

0 1
 O   0.4528000       2.409600     -0.3630000    
 O    2.169400     -0.4631000     -0.5181000    
 O    1.458300     -0.3146000       1.627600    
 C  -0.1577000      4.3900002E-02 -0.1911000    
 C  -0.6045000      -1.157900      -1.069900    
 C   -1.156300      0.3313000      0.9687000    
 C   1.3000000E-03   1.283500      -1.106500    
 C    1.217100     -0.2610000      0.4290000    
 C  -0.7855000      -2.474800     -0.3226000    
 C   -2.594900      0.6032000      0.5458000    
 H   0.1354000      -1.327300      -1.863400    
 H   -1.540600     -0.9169000      -1.588100    
 H  -0.8045000       1.181600       1.566800    
 H   -1.165300     -0.5159000       1.666800    
 H  -0.9366000       1.548600      -1.605900    
 H   0.7386000       1.103300      -1.896500    
 H   -1.595400      -2.415600      0.4096000    
 H   -1.042000      -3.270100      -1.030400    
 H   0.1306000      -2.774200      0.1947000    
 H   -2.666300       1.478200     -0.1058000    
 H   -3.037000     -0.2540000      3.0999999E-02
 H   -3.207700      0.8032000       1.431200    
 H  -0.3053000       2.757000      0.1363000    
 H    3.045400     -0.6542000     -0.1204000    


%chk=000080004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080004

0 1
O 0.386136 2.499992 -0.421387
O 2.177797 -0.491588 -0.548162
O 1.485128 -0.335859 1.654271
C -0.169030 0.038085 -0.178211
C -0.603096 -1.172408 -1.073433
C -1.165469 0.322363 0.984851
C -0.021364 1.278346 -1.119509
C 1.202581 -0.267153 0.438733
C -0.756108 -2.516193 -0.329804
C -2.603615 0.671146 0.544022
H 0.143457 -1.285896 -1.881781
H -1.562863 -0.909995 -1.560242
H -0.751543 1.134098 1.614260
H -1.188588 -0.557494 1.651975
H -0.976581 1.425922 -1.666116
H 0.782642 1.095990 -1.848709
H -1.544778 -2.474160 0.442583
H -1.028330 -3.316169 -1.041950
H 0.185436 -2.817307 0.165191
H -2.648284 1.571974 -0.097223
H -3.076632 -0.156633 -0.014826
H -3.231800 0.870371 1.430990
H -0.339768 2.790400 0.185924
H 3.053974 -0.654031 -0.105646


