%chk=000008309.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008309

0 1
 S   0.1093000       2.146600     -0.1129000    
 O  -0.4693000       3.270500      0.6139000    
 O   0.5736000       2.357600      -1.478600    
 N    1.391200       1.497800      0.8380000    
 N   -3.887300      -2.256300     -0.1195000    
 N    2.564400      0.1166000     -0.6842000    
 N    2.197800      -2.093000       1.003800    
 C   -1.064000      0.8536000     -0.1149000    
 C   -2.039500      0.7957000      0.8806000    
 C   -1.026100     -0.1214000      -1.111700    
 C   -2.938900      -1.212200     -0.1173000    
 C   -2.976800     -0.2373000      0.8793000    
 C   -1.963500      -1.154300      -1.112900    
 C    1.908800      0.2036000      0.4837000    
 C    1.724100     -0.8705000       1.315800    
 C    3.038300      -1.105800     -0.9961000    
 C    2.858100      -2.191200     -0.1671000    
 H   -2.083600       1.539500       1.671100    
 H  -0.2756000     -9.7000003E-02  -1.896800    
 H    1.300100       1.649100       1.851600    
 H   -3.730900     -0.2725000       1.661400    
 H   -1.923400      -1.908400      -1.894700    
 H    1.192400     -0.7989000       2.257000    
 H   -4.593800      -2.299800      0.6029000    
 H   -3.858900      -2.964400     -0.8410000    
 H    3.568200      -1.185700      -1.937100    
 H    3.238700      -3.173300     -0.4189000    


%chk=000008309-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008309

0 1
S 0.012964 1.857570 0.130686
O -0.464995 3.017914 1.171231
O 0.666339 2.231533 -1.302591
N 1.274999 0.992855 1.225554
N -4.588627 -1.977799 -0.650179
N 1.823157 -0.679281 -0.350819
N 4.195834 -1.267351 1.112708
C -1.373460 0.641300 -0.094489
C -2.440762 0.689202 0.820964
C -1.335100 -0.240508 -1.189241
C -3.522528 -1.108077 -0.465359
C -3.518218 -0.191570 0.631880
C -2.417789 -1.114462 -1.373800
C 2.155277 0.021721 0.779432
C 3.357225 -0.281068 1.507610
C 2.685097 -1.661696 -0.738639
C 3.862032 -1.964023 -0.020322
H -2.431010 1.412784 1.642174
H -0.473593 -0.239618 -1.862388
H 1.529921 1.623151 1.995326
H -4.364323 -0.171545 1.328037
H -2.415102 -1.810434 -2.220315
H 3.630701 0.273762 2.411927
H -5.380704 -1.977523 -0.013668
H -4.603691 -2.627579 -1.431308
H 2.418693 -2.211161 -1.647549
H 4.551063 -2.749502 -0.341463


