%chk=000005320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005320

0 1
 S    1.167500      -1.275000     -0.2485000    
 O    1.170900      -2.585000      0.3893000    
 O    1.588800      -1.150500      -1.637200    
 O    2.430200       1.511200     -0.8735000    
 N    2.093600     -0.1934000      0.7062000    
 N   -4.276000       1.075300      0.2018000    
 C  -0.4309000     -0.5850000     -0.1165000    
 C   -1.282000     -0.9888000      0.9123000    
 C  -0.8569000      0.3700000      -1.039800    
 C   -2.985000      0.5171000      9.4700001E-02
 C   -2.559100     -0.4378000       1.017800    
 C   -2.134000      0.9211000     -0.9341000    
 C    2.622800       1.054500      0.2477000    
 C    3.450200       1.766200       1.279600    
 H  -0.9680000      -1.726200       1.645600    
 H  -0.2110000      0.7034000      -1.847000    
 H    2.331900     -0.5044000       1.657000    
 H   -3.212500     -0.7595000       1.824800    
 H   -2.454000       1.665400      -1.658900    
 H    4.303800       1.144100       1.561400    
 H    3.819000       2.710500      0.8697000    
 H    2.839000       1.977000       2.161200    
 H   -4.894200      0.7818000      0.9465000    
 H   -4.585700       1.766600     -0.4682000    


%chk=000005320-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005320

0 1
S 1.138848 -1.349812 -0.109187
O 1.158697 -2.627111 0.900496
O 1.656672 -1.476903 -1.634608
O 1.947355 1.669260 -0.538438
N 2.282126 -0.185416 0.826806
N -4.384947 1.091564 0.039114
C -0.539512 -0.553261 -0.050982
C -1.436132 -1.003201 0.936162
C -0.871540 0.421031 -1.010947
C -3.109365 0.544593 0.010300
C -2.726497 -0.449425 0.963756
C -2.164042 0.967172 -0.976206
C 2.562332 1.111610 0.414236
C 3.673114 1.802417 1.207113
H -1.131685 -1.778896 1.646081
H -0.132168 0.748799 -1.746413
H 2.805080 -0.682359 1.557485
H -3.446071 -0.786158 1.718586
H -2.446836 1.730760 -1.709395
H 4.592800 1.809163 0.594823
H 3.377991 2.848820 1.386298
H 3.894315 1.314706 2.171153
H -5.065625 0.795815 0.733216
H -4.666511 1.795433 -0.637548


