%chk=000157569.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157569

0 1
 O    1.248700       1.272700      0.6908000    
 O   0.9074000     -0.7299000     -0.5544000    
 O   -2.667600      -2.605500     -6.3900001E-02
 O  -0.5523000      -2.180100      0.3633000    
 N   -1.721300      -1.803600      0.1140000    
 C    3.189700      4.3200001E-02 -0.1434000    
 C    2.609000      0.9373000      0.9680000    
 C    2.251300      -1.162400     -0.3377000    
 C    3.278100      0.8448000      -1.456600    
 C    4.591400     -0.4389000      0.2482000    
 C   0.4531000      9.5100001E-02  0.5232000    
 C  -0.9614000      0.5248000      0.2203000    
 C   -1.984600     -0.4086000      2.8600000E-02
 C   -1.248500       1.890200      0.1315000    
 C   -3.282600      1.9500000E-02 -0.2493000    
 C   -2.546600       2.318300     -0.1462000    
 C   -3.563600       1.383000     -0.3366000    
 H    2.655700      0.4410000       1.945600    
 H    3.172300       1.873100       1.053600    
 H    2.553200      -1.760000      -1.204800    
 H    2.271900      -1.825900      0.5361000    
 H   0.4720000     -0.4398000       1.483500    
 H    2.298600       1.213000      -1.780100    
 H    3.936100       1.713600      -1.342100    
 H    3.682600      0.2272000      -2.266500    
 H    4.566400      -1.014100       1.180400    
 H    5.019500      -1.082400     -0.5285000    
 H    5.272900      0.4062000      0.3968000    
 H  -0.4964000       2.661200      0.2687000    
 H   -4.102900     -0.6768000     -0.4040000    
 H   -2.766300       3.379900     -0.2149000    
 H   -4.574200       1.717000     -0.5530000    


%chk=000157569-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157569

0 1
O 1.272931 1.326388 0.706693
O 0.894664 -0.632772 -0.644580
O -2.596361 -2.653502 -0.385481
O -0.920032 -2.257020 1.100016
N -1.825267 -1.854943 0.271834
C 3.254668 0.066179 -0.189763
C 2.671769 0.921179 0.969945
C 2.274613 -1.118559 -0.418185
C 3.377341 0.917803 -1.475316
C 4.633166 -0.488875 0.238629
C 0.453923 0.132185 0.526047
C -0.983491 0.547074 0.271767
C -2.033849 -0.392522 0.093535
C -1.302777 1.915541 0.121407
C -3.348690 0.006476 -0.235050
C -2.617083 2.332396 -0.184674
C -3.642784 1.377111 -0.368864
H 2.708545 0.347386 1.923338
H 3.227982 1.865174 1.092038
H 2.531959 -1.690495 -1.324736
H 2.277669 -1.801728 0.460430
H 0.556228 -0.511846 1.426547
H 2.390227 1.301596 -1.782835
H 4.052422 1.778961 -1.312006
H 3.789277 0.315108 -2.306126
H 4.559179 -1.111204 1.151102
H 5.069559 -1.112837 -0.563239
H 5.342961 0.334283 0.443701
H -0.495180 2.641133 0.242955
H -4.114051 -0.761041 -0.377213
H -2.836304 3.400320 -0.288252
H -4.661614 1.694147 -0.613063


