%chk=000168224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168224

0 1
 S   -2.840800     -0.8082000     -0.1006000    
 O   -3.347600      -1.737900      0.8897000    
 O   -2.150900      -1.286900      -1.283200    
 N   -1.863600      0.3687000      0.6572000    
 N    4.060000      -1.660500     -0.2507000    
 C  -0.1389000       2.125700      0.4037000    
 C   -1.474700       1.574300     -9.6299998E-02
 C   0.9735000       1.122700      0.2303000    
 C    1.247200      0.2263000       1.252200    
 C    1.704600       1.113400     -0.9480000    
 C    2.276500     -0.7015000       1.092000    
 C    2.733700      0.1856000      -1.108100    
 C   -4.198600      0.2001000     -0.6499000    
 C    3.019700     -0.7218000     -8.8200003E-02
 H  -0.2185000       2.406400       1.462000    
 H   0.1045000       3.049300     -0.1360000    
 H   -1.396200       1.343700      -1.164600    
 H   -2.250100       2.336500      3.4899998E-02
 H   -2.060600      0.5535000       1.649800    
 H   0.6783000      0.2350000       2.177600    
 H    1.487900       1.814700      -1.748800    
 H   -3.852300      0.9107000      -1.401500    
 H   -4.945500     -0.4619000      -1.094700    
 H   -4.631600      0.7124000      0.2114000    
 H    2.490000      -1.403000       1.894400    
 H    3.305200      0.1793000      -2.032800    
 H    4.599900      -1.674800      -1.105700    
 H    4.268500      -2.317900      0.4889000    


%chk=000168224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168224

0 1
S -2.678322 -0.386939 -1.040670
O -2.348136 -1.939498 -0.681121
O -2.206418 0.278076 -2.459749
N -2.054103 0.665220 0.410719
N 3.976493 -1.850270 0.079145
C -0.103370 2.225216 0.692645
C -1.442282 1.955577 -0.039122
C 0.948457 1.131759 0.519950
C 1.773643 0.752457 1.609776
C 1.162846 0.476855 -0.723329
C 2.779210 -0.224858 1.475470
C 2.157624 -0.506984 -0.873382
C -4.548950 -0.114488 -0.881581
C 2.988130 -0.875142 0.225104
H -0.301015 2.377321 1.771209
H 0.275121 3.195097 0.308657
H -1.278103 1.940507 -1.137207
H -2.154580 2.771222 0.180012
H -1.323313 0.038852 0.815387
H 1.628631 1.233983 2.585603
H 0.539461 0.722255 -1.592101
H -4.721312 0.962493 -1.007628
H -5.006860 -0.709376 -1.683928
H -4.821204 -0.468374 0.120874
H 3.400047 -0.494035 2.339117
H 2.287353 -1.003741 -1.842666
H 4.100569 -2.335944 -0.804080
H 4.549983 -2.133338 0.867896


