%chk=000062432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062432

0 1
 S   -1.581200     -0.3283000      -2.120200    
 P  -0.8444000     -5.5399999E-02 -0.3209000    
 O    3.584200     -0.1704000      0.3300000    
 N   -1.129100      -1.307900      0.7464000    
 N   -1.444900       1.279500      0.4827000    
 N   0.8016000      0.1525000     -0.2566000    
 C   -2.518100      -1.538300       1.104300    
 C   -1.784600      -2.482600      0.1975000    
 C   -1.334500       2.548500     -0.2161000    
 C   -2.660200       1.862600     -5.9599999E-02
 C    1.370000      0.4977000       1.053300    
 C    1.621100     -0.8853000     -0.8967000    
 C    2.837800      0.8874000      0.9296000    
 C    3.082400     -0.4601000     -0.9738000    
 H   -3.284200     -0.9116000      0.6704000    
 H   -2.694200      -1.850100       2.125000    
 H   -1.459800      -3.427400      0.6187000    
 H   -2.135500      -2.568100     -0.8168000    
 H  -0.8626000       2.563000      -1.188100    
 H   -1.133500       3.409600      0.4072000    
 H   -3.345100       2.264700      0.6784000    
 H   -3.156100       1.482900     -0.9365000    
 H    1.279000     -0.3588000       1.732500    
 H   0.8441000       1.339800       1.512000    
 H    1.277100      -1.086400      -1.915100    
 H    1.538500      -1.819600     -0.3280000    
 H    2.963800       1.804800      0.3416000    
 H    3.260400       1.070900       1.922700    
 H    3.686100      -1.273200      -1.389600    
 H    3.214900      0.4154000      -1.621200    


%chk=000062432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062432

0 1
S -1.468413 -0.539775 -2.243431
P -0.822117 -0.148549 -0.282456
O 3.688044 0.196556 0.123102
N -1.564040 -1.127753 1.038220
N -1.147354 1.483880 0.396177
N 0.877611 -0.308292 -0.050415
C -3.003706 -1.579977 0.864909
C -1.873517 -2.579564 0.720236
C -1.200053 2.638986 -0.583730
C -2.474650 2.143889 0.073261
C 1.499938 -0.079041 1.275498
C 1.784981 -0.875352 -1.066769
C 2.753575 0.797156 1.091252
C 3.029155 0.024423 -1.184830
H -3.519653 -1.291702 -0.061001
H -3.596464 -1.541335 1.783391
H -1.639766 -3.269889 1.535763
H -1.660043 -2.937839 -0.295757
H -1.071639 2.407156 -1.649609
H -0.712789 3.549610 -0.223810
H -2.916053 2.690857 0.911333
H -3.176895 1.597941 -0.570716
H 1.786563 -1.051920 1.726284
H 0.775322 0.420336 1.940596
H 1.253342 -0.935734 -2.034517
H 2.096936 -1.898884 -0.769047
H 2.449170 1.808476 0.744388
H 3.321610 0.880098 2.033133
H 3.790326 -0.434323 -1.837696
H 2.733579 1.016365 -1.590660


