%chk=000081690.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081690

0 1
 O  -9.1100000E-02  0.1692000     -0.7202000    
 O    1.916700      -1.102800      -2.069700    
 O    4.576200      0.7300000      0.6667000    
 O    1.713300     -0.6128000       2.149900    
 O   -1.580000      -1.810800      0.5412000    
 C    2.274000      0.2917000     -5.3800002E-02
 C   0.9035000       1.009000     -0.1506000    
 C    2.769100     -0.1437000      -1.457800    
 C    3.281900       1.306000      0.5425000    
 C    2.164800     -0.9639000      0.8473000    
 C   -1.388400      0.4049000     -0.3456000    
 C   -2.127200     -0.5899000      0.2853000    
 C   -1.952700       1.649300     -0.6049000    
 C   -3.446600     -0.3373000      0.6614000    
 C   -3.271900       1.901900     -0.2287000    
 C   -4.018800      0.9085000      0.4044000    
 C   -1.722800      -2.809200     -0.4674000    
 H   0.5915000       1.365600      0.8403000    
 H    1.003800       1.893100     -0.7936000    
 H    2.847000      0.7182000      -2.130300    
 H    3.763500     -0.5984000      -1.395400    
 H    3.375700       2.182100     -0.1091000    
 H    2.967300       1.664700       1.528900    
 H    3.131200      -1.467500      0.9507000    
 H    1.465400      -1.700800      0.4374000    
 H    1.054000     -0.6798000      -2.215900    
 H    4.558500      0.1247000       1.426800    
 H   0.7597000     -0.4332000       2.094000    
 H   -1.385800       2.429100      -1.105500    
 H   -4.034300      -1.106200       1.155500    
 H   -3.718300       2.871200     -0.4306000    
 H   -5.046100       1.105000      0.6969000    
 H   -1.240500      -2.489000      -1.396400    
 H   -2.780700      -3.024900     -0.6472000    
 H   -1.233800      -3.722200     -0.1169000    


%chk=000081690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081690

0 1
O 0.049129 0.508547 -0.979563
O 2.188762 0.827056 -2.750812
O 2.873834 -0.050286 2.157686
O 1.680030 -1.918530 0.537392
O -1.029435 -1.382056 0.768251
C 2.405396 0.339142 -0.281697
C 1.016195 0.893437 0.101137
C 2.960484 1.077970 -1.530335
C 3.360940 0.575089 0.928240
C 2.317941 -1.187524 -0.576790
C -1.324233 0.552075 -0.649163
C -1.903906 -0.419583 0.220352
C -2.144201 1.519391 -1.261006
C -3.292845 -0.388826 0.478206
C -3.536183 1.543123 -1.012571
C -4.104004 0.592510 -0.138126
C -1.595788 -2.401261 1.666085
H 0.678761 0.486742 1.069916
H 1.035989 1.999649 0.161911
H 3.006509 2.169044 -1.310800
H 3.985651 0.731548 -1.757259
H 4.368333 0.187363 0.655740
H 3.458171 1.654464 1.152032
H 3.334804 -1.608470 -0.666175
H 1.775142 -1.366646 -1.520986
H 1.221755 0.836533 -2.507985
H 2.501758 -0.947309 1.893913
H 0.693657 -1.738655 0.503961
H -1.674350 2.242868 -1.935234
H -3.751888 -1.124917 1.144414
H -4.164655 2.297716 -1.495624
H -5.179599 0.604342 0.066634
H -2.351246 -3.010973 1.137802
H -2.039905 -1.930411 2.561873
H -0.742903 -3.031363 1.958183


