%chk=000005330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005330

0 1
 S    1.250500      -2.153900     -0.3090000    
 O    2.306200      -3.010000      0.2194000    
 O   0.7449000      -2.410000      -1.652100    
 O   -4.004400       1.547500      7.6800004E-02
 N  -5.8200002E-02  -2.165300      0.8116000    
 N   -1.849800      -1.254300     -0.4293000    
 N    3.168000       3.467900     -3.6400001E-02
 N   -2.832700     -0.3331000     -0.6165000    
 C    1.814100     -0.5034000     -0.2291000    
 C    2.801400     -0.1472000      0.6897000    
 C    1.276200      0.4594000      -1.083200    
 C    2.713000       2.134600     -9.9900000E-02
 C    3.250600       1.171800      0.7544000    
 C    1.725700       1.778300      -1.018600    
 C   -1.079900      -1.163200      0.6692000    
 C   -1.224600     -0.1871000       1.625900    
 C   -2.224700      0.7502000       1.435500    
 C   -3.005200      0.6410000      0.3022000    
 C   -4.771000       1.376700      -1.110600    
 H   0.2063000      -2.358900       1.786800    
 H    3.229100     -0.8781000       1.370000    
 H   0.5056000      0.2057000      -1.805600    
 H    4.019100       1.437500       1.475800    
 H    1.298200       2.519400      -1.689200    
 H  -0.5853000     -0.1403000       2.500600    
 H   -2.384000       1.543600       2.157600    
 H    3.882200       3.727700      0.6308000    
 H    2.776600       4.166400     -0.6543000    
 H   -4.140100       1.468400      -2.001000    
 H   -5.520900       2.172700      -1.144600    
 H   -5.297400      0.4165000      -1.102700    


%chk=000005330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005330

0 1
S 1.261246 -1.720140 0.145333
O 2.278656 -2.677722 0.985453
O 0.531286 -2.262330 -1.195758
O -4.927857 0.703934 0.128878
N -0.032132 -1.377656 1.504014
N -1.387641 -0.061360 0.105779
N 4.156605 3.469482 -0.946454
N -2.603661 0.470337 -0.243783
C 2.106318 -0.093522 -0.165034
C 3.366885 0.096644 0.430456
C 1.495670 0.857427 -1.003060
C 3.476396 2.286924 -0.684187
C 4.053053 1.293439 0.165839
C 2.190224 2.049779 -1.262327
C -1.309199 -0.924278 1.172279
C -2.462639 -1.300557 1.938249
C -3.690236 -0.741460 1.591241
C -3.709620 0.150817 0.479958
C -4.931727 1.609085 -1.042184
H 0.064749 -2.132321 2.198141
H 3.797199 -0.683121 1.066716
H 0.494758 0.673840 -1.404375
H 5.039268 1.463967 0.612455
H 1.735740 2.809344 -1.908457
H -2.376966 -2.004074 2.772238
H -4.614765 -0.973467 2.125096
H 5.071700 3.647499 -0.542379
H 3.754653 4.179149 -1.552413
H -4.282147 2.481788 -0.858895
H -5.984218 1.909317 -1.147884
H -4.572100 1.079740 -1.940735


