%chk=000093116.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093116

1 1
 O   0.6587000       2.637700      0.6000000    
 O    3.324100      -2.057700     -0.5247000    
 O   -1.325400      -1.939900     -0.3949000    
 N  -0.8022000      0.2932000      0.1003000    
 N    4.763800      0.2816000     -2.7400000E-02
 N    5.854700      0.2840000     -5.0900001E-02
 C   0.6140000      0.2985000      6.9899999E-02
 C    1.306500       1.471500      0.3202000    
 C    1.276600     -0.8847000     -0.2135000    
 C    2.671100     -0.8946000     -0.2474000    
 C    2.700800       1.461600      0.2864000    
 C    3.383100      0.2786000      2.4000001E-03
 C   -1.676100     -0.7800000     -0.1238000    
 C   -3.094700     -0.4696000     -5.0099999E-02
 C   -4.008400      -1.462300      0.3045000    
 C   -3.542200      0.8209000     -0.3334000    
 C   -5.369300      -1.164700      0.3755000    
 C   -4.903000       1.118600     -0.2622000    
 C   -5.816500      0.1257000      9.2299998E-02
 C   0.3224000       3.472800     -0.5056000    
 C    3.661800      -2.891100      0.5823000    
 H   0.7965000      -1.829500     -0.4184000    
 H   -1.200400       1.191300      0.3601000    
 H    3.255200       2.376300      0.4825000    
 H   -3.680500      -2.472900      0.5342000    
 H   -2.874500       1.616600     -0.6506000    
 H   -6.080700      -1.937300      0.6523000    
 H   -5.253100       2.120900     -0.4911000    
 H   -6.876300      0.3571000      0.1459000    
 H    1.229500       3.826800      -1.005700    
 H  -0.2278000       4.338200     -0.1261000    
 H  -0.3143000       2.939400      -1.218500    
 H    2.756500      -3.230300       1.095800    
 H    4.313800      -2.360100       1.282800    
 H    4.196300      -3.765800      0.2020000    


%chk=000093116-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093116

1 1
O 0.332524 2.610971 -0.267959
O 3.688149 -1.850063 0.183859
O -1.169038 -2.005076 0.417146
N -0.767078 0.273142 0.049345
N 4.769279 0.553702 -0.148887
N 5.936688 0.563822 -0.186392
C 0.611790 0.267109 0.012160
C 1.245153 1.571010 -0.167778
C 1.409127 -0.900508 0.135530
C 2.808035 -0.807538 0.080445
C 2.626713 1.686761 -0.224194
C 3.417990 0.492878 -0.100263
C -1.640927 -0.848859 0.218206
C -3.097682 -0.549813 0.158163
C -3.979565 -1.578972 0.590108
C -3.638073 0.678692 -0.319320
C -5.372334 -1.379423 0.562184
C -5.033577 0.871904 -0.349759
C -5.902823 -0.152662 0.095279
C 0.838824 3.987802 -0.439848
C 3.160531 -3.227221 0.373379
H 0.897306 -1.853873 0.278987
H -1.189399 1.205213 -0.036106
H 3.123074 2.649918 -0.360055
H -3.550187 -2.521989 0.942643
H -2.999888 1.482286 -0.708225
H -6.044333 -2.173783 0.901161
H -5.445646 1.813149 -0.726706
H -6.986342 0.002802 0.071596
H 1.465697 4.276563 0.423110
H -0.058242 4.619444 -0.480085
H 1.404569 4.073853 -1.385149
H 2.529422 -3.512504 -0.485518
H 2.593593 -3.289050 1.317948
H 4.056673 -3.858888 0.420097


