%chk=000008435.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008435

0 1
 S  -0.2423000      0.6794000      0.2355000    
 O   0.5446000      -1.596500     -0.8232000    
 N   -4.245800      7.7100001E-02 -0.1086000    
 N    6.403100      0.5853000      0.3467000    
 C   -2.988400      0.7364000      0.2426000    
 C   -5.384400      0.9117000      0.2734000    
 C   -4.333400      -1.233000      0.5352000    
 C   -1.811800     -0.1270000     -0.1950000    
 C   -5.316800       2.275900     -0.3812000    
 C   -5.600200      -1.962600      0.1387000    
 C   0.9021000     -0.5337000     -0.3303000    
 C    2.347000     -0.2398000     -0.1530000    
 C    3.218700      -1.287400      6.1799999E-02
 C    2.772100       1.071600     -0.2081000    
 C    5.031000      0.3062000      0.1776000    
 C    4.575600      -1.011400      0.2290000    
 C    4.129100       1.347700     -4.0899999E-02
 H   -2.939600      0.9390000       1.321100    
 H   -2.888700       1.691700     -0.2838000    
 H   -6.321200      0.4632000     -7.3200002E-02
 H   -5.458300       1.029500       1.362000    
 H   -3.533900      -1.897800      0.1992000    
 H   -4.270200      -1.160600       1.628200    
 H   -1.840900     -0.3114000      -1.274500    
 H   -1.776300      -1.083000      0.3303000    
 H   -4.576200       2.931100      8.7800004E-02
 H   -5.103400       2.204700      -1.453500    
 H   -6.284300       2.780500     -0.2770000    
 H   -6.489600      -1.554100      0.6283000    
 H   -5.754800      -1.950300     -0.9458000    
 H   -5.532700      -3.012700      0.4452000    
 H    2.877600      -2.317300      0.1089000    
 H    2.111000       1.908400     -0.4067000    
 H    5.268300      -1.831500      0.3999000    
 H    4.473000       2.377800     -8.9599997E-02
 H    6.733800       1.540200      0.3089000    
 H    7.057500     -0.1695000      0.5044000    


%chk=000008435-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008435

0 1
S -0.239971 1.193479 -1.257249
O -0.066340 -1.255689 -0.027648
N -4.039212 0.130115 0.116933
N 6.221514 0.191135 0.615957
C -2.732601 0.829837 0.087237
C -5.138564 0.915625 0.731705
C -3.934290 -1.264153 0.628683
C -2.003628 0.510675 -1.232845
C -5.642383 2.053060 -0.177557
C -4.997572 -2.204246 0.029141
C 0.597069 -0.240714 -0.372242
C 2.048313 -0.080191 -0.137239
C 2.749050 -1.148737 0.494749
C 2.782142 1.081331 -0.507560
C 4.857277 0.101709 0.370659
C 4.124137 -1.066261 0.745854
C 4.158728 1.175941 -0.261441
H -2.082671 0.539929 0.944463
H -2.895431 1.920164 0.159764
H -5.978213 0.222200 0.923486
H -4.839873 1.331890 1.727532
H -2.929192 -1.643763 0.368229
H -3.996294 -1.287114 1.745977
H -2.517430 0.957162 -2.098529
H -1.910965 -0.578240 -1.374648
H -4.844047 2.784772 -0.399814
H -6.000452 1.639498 -1.136468
H -6.472321 2.600374 0.307897
H -6.024570 -1.871669 0.268021
H -4.898971 -2.236306 -1.069975
H -4.875486 -3.229283 0.427067
H 2.183069 -2.041855 0.779688
H 2.268998 1.919465 -0.991882
H 4.645362 -1.899815 1.232081
H 4.706789 2.079545 -0.554030
H 6.747427 1.018778 0.349157
H 6.721902 -0.570851 1.065148


