%chk=000102727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102727

0 1
 O   -3.057300      0.7520000     -0.7552000    
 O    4.306600      -1.514900      0.1638000    
 O   -3.275500      -2.041300     -0.5075000    
 N   -2.041300       2.922800      0.5822000    
 N   -1.686000     -0.6544000      0.4989000    
 C  -6.7599997E-02   1.980600     -0.5281000    
 C   -1.206300       1.725700      0.4709000    
 C    1.103400       1.044600     -0.3425000    
 C   -2.101500      0.5813000     -1.0000000E-03
 C    2.131800       1.406100      0.5120000    
 C    1.126200     -0.1571000      -1.031400    
 C    3.213400      0.5419000      0.6825000    
 C    2.207800      -1.021300     -0.8608000    
 C    3.251400     -0.6718000     -3.8999999E-03
 C   -2.296600      -1.874000      0.2143000    
 C   -1.608300      -3.020300      0.9056000    
 H  -0.4313000       1.911200      -1.562600    
 H   0.3051000       3.009300     -0.4211000    
 H  -0.8104000       1.503600       1.468700    
 H    2.110000       2.347800       1.052800    
 H   0.3233000     -0.4365000      -1.707200    
 H   -2.824400       2.742300       1.208900    
 H   -2.441100       3.156000     -0.3260000    
 H    4.019700      0.8256000       1.353600    
 H    2.232000      -1.964900      -1.399000    
 H  -0.8787000     -0.6687000       1.117300    
 H  -0.5694000      -3.085300      0.5703000    
 H   -2.118600      -3.956900      0.6647000    
 H   -1.634200      -2.870400       1.988700    
 H    4.933500      -1.114300      0.7904000    


%chk=000102727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102727

0 1
O -3.106949 0.636744 -0.758123
O 3.959185 -1.928021 0.058538
O -3.022585 -2.245059 -0.188324
N -2.214331 3.112114 0.307554
N -1.560151 -0.554100 0.576302
C -0.109787 2.125145 -0.543609
C -1.351430 1.925636 0.392676
C 0.977658 1.073910 -0.385587
C -2.111268 0.616403 0.006097
C 1.837009 1.089649 0.744057
C 1.157039 0.038180 -1.341578
C 2.835736 0.106748 0.924319
C 2.149585 -0.949728 -1.181427
C 2.989909 -0.915339 -0.044255
C -1.979751 -1.907790 0.415689
C -1.013045 -2.898103 1.064918
H -0.469899 2.158253 -1.589770
H 0.274314 3.131827 -0.297755
H -0.982617 1.841444 1.434306
H 1.738955 1.891609 1.486635
H 0.509192 0.004118 -2.225562
H -2.926687 3.137085 1.047894
H -2.674626 3.169061 -0.611646
H 3.495474 0.145910 1.801116
H 2.293034 -1.741427 -1.922675
H -0.681855 -0.418590 1.088119
H -0.004580 -2.811151 0.618425
H -1.390059 -3.918654 0.907416
H -0.922199 -2.713760 2.151789
H 4.520425 -1.803417 0.863759


