%chk=000005328.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005328

0 1
 S   0.4282000       2.216600      0.1150000    
 S   -2.573300     -0.3326000      -1.485000    
 O    1.193600       3.189200     -0.6559000    
 O   9.4099998E-02   2.524600       1.500200    
 N   -1.012300       1.855900     -0.7588000    
 N   -1.929800      0.3369000      0.9034000    
 N    3.385200      -2.940200     -2.9300001E-02
 N   -2.704200     -0.8032000       1.030300    
 C    1.296200      0.7024000      7.2600000E-02
 C    2.181600      0.4350000     -0.9717000    
 C    1.104500     -0.2402000       1.082900    
 C    2.683300      -1.717200      4.3000001E-03
 C    2.874900     -0.7748000      -1.005800    
 C    1.798100      -1.449900       1.048700    
 C   -1.774700      0.7033000     -0.3607000    
 C   -3.104300      -1.254300     -0.1393000    
 C   -3.941200      -2.451800     -0.3509000    
 H   -1.020700       2.059100      -1.765800    
 H    2.341200       1.150800      -1.773100    
 H   0.4378000     -5.0200000E-02   1.918500    
 H    3.560900     -0.9721000      -1.825700    
 H    1.643400      -2.174600       1.844100    
 H    4.026000      -3.135300     -0.7871000    
 H    3.245000      -3.624500      0.7020000    
 H   -4.879800      -2.192200     -0.8510000    
 H   -3.415700      -3.196300     -0.9576000    
 H   -4.192100      -2.919300      0.6068000    


%chk=000005328-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005328

0 1
S 0.284585 1.657461 -0.109309
S -3.813377 0.292943 -1.349727
O 0.821506 2.918249 -0.987442
O -0.449460 1.860143 1.321013
N -1.016301 0.862103 -1.374974
N -1.831638 -0.883588 0.041723
N 4.691731 -2.439652 0.317800
N -3.003954 -1.540177 0.420293
C 1.617158 0.378882 0.010399
C 2.803283 0.601705 -0.714527
C 1.406468 -0.753631 0.820989
C 3.671725 -1.505235 0.212671
C 3.835237 -0.343661 -0.605000
C 2.443140 -1.693606 0.920933
C -2.030236 0.091292 -0.861369
C -4.105098 -1.112422 -0.190456
C -5.466846 -1.704080 0.002676
H -1.252967 1.613401 -2.039282
H 2.913363 1.499213 -1.331255
H 0.449966 -0.903721 1.330361
H 4.772764 -0.188714 -1.150824
H 2.303066 -2.585952 1.541137
H 5.566895 -2.318513 -0.184366
H 4.582994 -3.268088 0.896338
H -6.185169 -0.955780 0.383005
H -5.870687 -2.108255 -0.943427
H -5.392248 -2.525219 0.733722


