%chk=000028067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028067

0 1
 S   -1.255100       3.096700       1.051200    
 O   -2.160000      0.9617000     -0.1162000    
 O    3.935200     -0.8078000     -0.5498000    
 N   -4.310600     -0.8833000      0.1537000    
 C   -3.527900     -0.7503000      -1.074800    
 C   -2.108800     -0.3038000     -0.7615000    
 C   -3.687800      -1.852900       1.091300    
 C   -5.690800      -1.253400     -0.1586000    
 C   0.2580000      0.9849000      8.3499998E-02
 C   -1.043900       1.618900      0.3076000    
 C    2.726800     -0.2178000     -0.3411000    
 C   0.9513000       1.237900      -1.093500    
 C   0.7844000      0.1378000       1.050900    
 C    2.190500      0.6341000      -1.306700    
 C    2.023700     -0.4661000      0.8377000    
 C    4.725300      -1.095800      0.6029000    
 C    6.189700      -1.040800      0.2234000    
 H   -3.996200      9.1000004E-03  -1.713500    
 H   -3.502300      -1.692400      -1.636300    
 H   -1.578400     -0.1880000      -1.714300    
 H   -1.560300      -1.038700     -0.1654000    
 H   -2.768400      -1.454700       1.530100    
 H   -3.480700      -2.812800      0.6060000    
 H   -4.360300      -2.037400       1.937300    
 H   -6.294600      -1.288500      0.7548000    
 H   -5.752500      -2.230700     -0.6505000    
 H   -6.154600     -0.5058000     -0.8117000    
 H   0.5418000       1.898000      -1.853400    
 H   0.2403000     -6.9100000E-02   1.968700    
 H    2.733200      0.8305000      -2.227300    
 H    2.391700      -1.144500       1.601700    
 H    4.564800     -0.3608000       1.401700    
 H    4.474900      -2.097300      0.9698000    
 H    6.826000      -1.267700       1.083400    
 H    6.408000      -1.757000     -0.5756000    
 H    6.452300     -4.8599999E-02 -0.1586000    


%chk=000028067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028067

0 1
S -2.380588 2.444296 1.089248
O -2.412608 1.511397 -1.407538
O 3.553646 -0.697426 -0.110736
N -3.028141 -0.967084 0.034565
C -3.634825 -0.609575 -1.254886
C -2.651631 0.222110 -2.099304
C -2.171351 -2.160445 0.023149
C -3.883326 -0.813561 1.218984
C -0.386668 0.885519 -0.142793
C -1.736377 1.501959 -0.172646
C 2.252307 -0.187433 -0.046491
C 0.412276 0.793938 -1.322313
C 0.177974 0.441778 1.081502
C 1.714075 0.269795 -1.276651
C 1.476934 -0.097500 1.140930
C 4.187155 -1.148481 1.147239
C 5.591197 -1.625038 0.786673
H -4.534947 0.003017 -1.072514
H -3.949275 -1.504727 -1.843742
H -3.090829 0.507273 -3.069655
H -1.706655 -0.328132 -2.263953
H -1.467124 -2.118229 -0.826795
H -2.748251 -3.114288 -0.051744
H -1.565940 -2.192738 0.946348
H -3.286769 -1.006654 2.128608
H -4.759845 -1.504434 1.229188
H -4.246134 0.229308 1.278223
H 0.023599 1.188679 -2.267238
H -0.421302 0.541871 1.992874
H 2.339926 0.219530 -2.172862
H 1.874760 -0.431636 2.103563
H 4.218860 -0.303590 1.864886
H 3.583634 -1.967832 1.588833
H 6.116121 -1.978095 1.692834
H 5.547030 -2.455332 0.061497
H 6.177792 -0.804638 0.339616


