%chk=000112255.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112255

0 1
 O    2.448400     -0.5192000      6.7800000E-02
 O    2.075700      -2.008500      -1.656700    
 C   -2.173400     -0.7340000      0.7554000    
 C  -0.9845000      -1.461600      0.1227000    
 C   -3.260500     -0.3523000     -0.2536000    
 C   7.5499997E-02  -1.807200       1.174000    
 C   -4.437600      0.3976000      0.3743000    
 C    3.612800       1.620700     -0.1049000    
 C    1.289400      -2.507500      0.5700000    
 C    2.467200       2.460300      0.4927000    
 C    3.125000      0.3618000     -0.8344000    
 C   -5.524000      0.6892000     -0.6616000    
 C    4.597100       1.243700       1.008200    
 C    1.973800      -1.672600     -0.4838000    
 C    1.428700       2.889400     -0.5337000    
 C   -6.713600       1.400400     -3.6400001E-02
 H   -2.614200      -1.369100       1.533700    
 H   -1.815700      0.1757000       1.253800    
 H   -1.331700      -2.379500     -0.3664000    
 H  -0.5545000     -0.8214000     -0.6561000    
 H   -3.628600      -1.264900     -0.7388000    
 H   -2.817700      0.2686000      -1.042300    
 H   0.3930000     -0.8899000       1.685100    
 H  -0.3653000      -2.459500       1.937400    
 H   -4.082000       1.336600      0.8152000    
 H   -4.859300     -0.2033000       1.189100    
 H    4.148700       2.242000     -0.8341000    
 H   0.9849000      -3.455100      0.1103000    
 H    2.022600      -2.751600       1.346800    
 H    1.964500       1.903500       1.293000    
 H    2.890300       3.360600      0.9553000    
 H    2.457800      0.6252000      -1.662500    
 H    3.989300     -0.1661000      -1.256900    
 H   -5.866400     -0.2474000      -1.117100    
 H   -5.113700       1.310400      -1.466200    
 H    5.433900      0.6628000      0.6063000    
 H    5.012000       2.142600       1.477000    
 H    4.115300      0.6489000       1.791500    
 H    1.899100       3.386900      -1.387400    
 H   0.8483000       2.037300     -0.9000000    
 H   0.7230000       3.592400     -7.9200000E-02
 H   -6.412100       2.356700      0.4029000    
 H   -7.167700      0.7887000      0.7498000    
 H   -7.477100       1.600300     -0.7947000    


%chk=000112255-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112255

0 1
O 2.542880 -0.594258 0.079386
O 2.324767 -2.123928 -1.662030
C -2.135175 -0.751866 0.804893
C -0.916363 -1.445394 0.156730
C -3.179543 -0.269248 -0.227440
C 0.147839 -1.877863 1.189606
C -4.413297 0.403003 0.415624
C 3.521488 1.644212 -0.090619
C 1.351090 -2.629120 0.559906
C 2.209086 2.329334 0.379815
C 3.268693 0.329501 -0.844115
C -5.448320 0.897319 -0.621327
C 4.493452 1.433795 1.094763
C 2.104151 -1.802646 -0.470918
C 1.212558 2.666615 -0.750428
C -6.684210 1.558640 0.026156
H -2.619571 -1.451116 1.518544
H -1.786664 0.114117 1.406079
H -1.257738 -2.330266 -0.419324
H -0.455716 -0.754679 -0.579826
H -3.512176 -1.130831 -0.843537
H -2.697029 0.444221 -0.928189
H 0.522786 -0.988185 1.730242
H -0.318640 -2.542959 1.943722
H -4.082444 1.259897 1.039399
H -4.903497 -0.313461 1.107848
H 4.010503 2.316698 -0.829852
H 1.016038 -3.551041 0.054207
H 2.061628 -2.915269 1.359355
H 1.717436 1.674966 1.125583
H 2.485418 3.262236 0.910717
H 2.651469 0.469709 -1.749201
H 4.214961 -0.157406 -1.145356
H -5.771554 0.041160 -1.248353
H -4.958745 1.617197 -1.308826
H 5.456156 1.006730 0.756361
H 4.706111 2.392059 1.603140
H 4.055760 0.740596 1.835164
H 1.690725 3.275474 -1.541529
H 0.805197 1.754711 -1.224539
H 0.354667 3.242432 -0.357329
H -6.391666 2.435171 0.634772
H -7.209044 0.848602 0.692962
H -7.406767 1.902743 -0.736737


