%chk=000052769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052769

0 1
 S   -3.145800     -0.8726000      -1.508700    
 O    2.719200      -1.601500      0.8285000    
 N    3.341200      0.8683000     -0.2096000    
 N    5.466900       1.277000     -0.6066000    
 C    1.989000      0.3396000     -0.3977000    
 C   0.4780000      -1.692900      0.1249000    
 C    1.775400      -1.044500      0.2316000    
 C  -0.5673000      -1.058200     -0.5462000    
 C   -1.811200      -1.680900     -0.6472000    
 C   0.2791000      -2.950300      0.6950000    
 C   -2.010100      -2.938300     -7.7200003E-02
 C  -0.9649000      -3.573000      0.5941000    
 C    3.751200       1.629500      0.8322000    
 C    4.385600      0.6750000      -1.050200    
 C   -3.323100      0.6253000     -0.5507000    
 C    5.078300       1.873400      0.5668000    
 C   -3.634200      0.5486000      0.8047000    
 C   -3.149200       1.863800      -1.162900    
 C   -3.772300       1.718000       1.552400    
 C   -3.287000       3.033300     -0.4153000    
 C   -3.598700       2.960300      0.9424000    
 H    1.304300       1.064700      5.5399999E-02
 H    1.821900      0.2872000      -1.478900    
 H  -0.4317000     -8.2900003E-02  -1.004300    
 H    1.076900      -3.465800       1.223100    
 H   -2.972600      -3.439200     -0.1456000    
 H    3.103200       1.925500       1.645400    
 H   -1.120000      -4.552000       1.038100    
 H    4.316300      9.6000001E-02  -1.961100    
 H    5.773600       2.448000       1.161200    
 H   -3.780100     -0.4082000       1.299600    
 H   -2.905200       1.939700      -2.219600    
 H   -4.016300       1.661500       2.609200    
 H   -3.151600       4.000800     -0.8900000    
 H   -3.706300       3.870900       1.524500    


%chk=000052769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052769

0 1
S -3.734604 -1.215865 -0.020686
O 2.804289 -1.752047 0.118137
N 2.921220 1.048648 0.249310
N 4.660942 2.318811 -0.468974
C 1.621884 0.388417 0.251887
C 0.395492 -1.900924 0.030055
C 1.694976 -1.154882 0.125295
C -0.861912 -1.237628 0.053331
C -2.055010 -1.982496 -0.047411
C 0.444250 -3.315774 -0.086905
C -2.003068 -3.394689 -0.165207
C -0.752592 -4.052818 -0.181732
C 3.903393 0.983017 1.247482
C 3.430719 1.863203 -0.766305
C -3.339588 0.588691 -0.016032
C 4.961214 1.771068 0.791309
C -3.315674 1.293055 1.209932
C -3.124792 1.265099 -1.239908
C -3.067598 2.686411 1.209740
C -2.872732 2.656999 -1.232826
C -2.843542 3.367937 -0.009407
H 1.069318 0.635451 1.180291
H 1.024873 0.792290 -0.586554
H -0.922405 -0.149536 0.148991
H 1.423271 -3.804639 -0.102461
H -2.929740 -3.974002 -0.245781
H 3.779714 0.379447 2.142097
H -0.720984 -5.143566 -0.273150
H 2.872820 2.085716 -1.673608
H 5.912011 1.971741 1.279126
H -3.490641 0.756530 2.147924
H -3.159329 0.708327 -2.181915
H -3.051983 3.234403 2.157964
H -2.708435 3.182985 -2.179466
H -2.653259 4.446720 -0.007242


