%chk=000099660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099660

0 1
 O    4.322500      6.3600004E-02   2.022200    
 O    4.684400     -0.5599000      -2.292400    
 O   -4.294900       1.817000     -0.3610000    
 N  -6.6600002E-02  0.3012000      0.1292000    
 N   -1.830500      -1.372700      0.1248000    
 N   -1.369200       2.106900     -0.1383000    
 N   -4.042600     -0.4765000     -0.1408000    
 N   -3.656200      -2.789900      9.2000000E-02
 C    1.144100     -0.4975000      0.3005000    
 C    3.513300     -0.4231000     -0.2146000    
 C    2.135100     -0.3625000     -0.8715000    
 C    3.294500      0.3397000       1.089700    
 C    1.943500     -0.1766000       1.578800    
 C    4.614500      0.1703000      -1.079700    
 C   -1.345900     -0.1301000      5.7700001E-02
 C  -0.1293000       1.669900      5.5999998E-03
 C   -2.131600      0.9733000     -0.1048000    
 C   -3.570500      0.8399000     -0.2154000    
 C   -3.214700      -1.493000      1.7899999E-02
 H   0.8243000      -1.544500      0.3633000    
 H    3.762300      -1.472200     -8.9999998E-04
 H    2.003700      0.5844000      -1.408900    
 H    1.997300      -1.168500      -1.600800    
 H    3.246200       1.422600      0.9224000    
 H    1.453800      0.5509000       2.235200    
 H    2.079500      -1.089100       2.173500    
 H    5.589000      0.1171000     -0.5845000    
 H    4.414100       1.218500      -1.323700    
 H    5.153200      0.4145000       1.659500    
 H   0.7538000       2.294000      2.9700000E-02
 H   -1.253700      -2.198400      0.2456000    
 H    4.897900      -1.482200      -2.070000    
 H   -3.010800      -3.562500      0.2145000    
 H   -4.643500      -3.012500      2.7400000E-02


%chk=000099660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099660

0 1
O 4.410911 0.069536 2.082582
O 4.773066 -0.692308 -2.418542
O -4.479919 1.782910 -0.350086
N -0.064119 0.306632 0.225093
N -1.864419 -1.436020 0.101195
N -1.400189 2.154986 -0.019841
N -4.094065 -0.532382 -0.195893
N -3.767794 -2.844809 -0.046058
C 1.165450 -0.498307 0.395498
C 3.546966 -0.436224 -0.250547
C 2.118923 -0.403174 -0.843136
C 3.395804 0.373378 1.068339
C 2.025085 -0.061210 1.629185
C 4.631188 0.107325 -1.192621
C -1.373170 -0.136912 0.096136
C -0.145142 1.719578 0.144836
C -2.196365 0.993612 -0.053453
C -3.656576 0.841267 -0.211916
C -3.269319 -1.552618 -0.052373
H 0.840613 -1.546953 0.535452
H 3.808086 -1.475564 0.043634
H 1.947858 0.560795 -1.359204
H 1.939360 -1.198468 -1.584538
H 3.398788 1.461652 0.829771
H 1.532247 0.728541 2.218027
H 2.202809 -0.916407 2.305058
H 5.605798 0.181009 -0.658992
H 4.357135 1.113374 -1.557599
H 5.264204 0.513417 1.848598
H 0.736602 2.351624 0.219037
H -1.259453 -2.251495 0.207256
H 5.105715 -1.593886 -2.177705
H -3.194207 -3.676638 0.060978
H -4.774871 -2.934159 -0.155975


