%chk=000149729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149729

0 1
 S   -6.032400     -4.7899999E-02  -1.180200    
 O   -7.258000     -0.6671000      -1.649500    
 O   -5.981500      0.5942000      0.1183000    
 N   0.2047000      5.5999998E-03   1.043500    
 N    3.909400       1.074600     -0.5994000    
 N   -2.041800     -0.6770000       2.654100    
 N   -4.747600      -1.181000      -1.357400    
 C    1.460800      0.3681000      0.4861000    
 C    2.384300     -0.6277000      0.1520000    
 C    3.613500     -0.2236000     -0.3959000    
 C    1.762800       1.717500      0.2769000    
 C    4.537000      -1.210300     -0.7305000    
 C   -1.034500     -0.2926000      0.4617000    
 C    3.016400       2.029800     -0.2759000    
 C    4.265000      -2.566500     -0.5336000    
 C    2.107200      -1.991400      0.3516000    
 C   -2.145600     -0.6292000       1.245800    
 C    3.047600      -2.958100      8.6000003E-03
 C   0.8538000       2.738900      0.6033000    
 C   -1.168900     -0.2538000     -0.9319000    
 C   -3.370300     -0.9225000      0.6458000    
 C   -3.494300     -0.8814000     -0.7429000    
 C    5.858600     -0.8116000      -1.317500    
 C    3.323000       3.371400     -0.4868000    
 C   -2.393500     -0.5470000      -1.531700    
 C    5.264800      -3.615000     -0.8974000    
 C    1.184800       4.072500      0.3827000    
 C    2.421900       4.389000     -0.1636000    
 C   -2.867900      0.1808000       3.477900    
 C   -1.118200      -1.594300       3.288700    
 C   -5.561100       1.155200      -2.402900    
 H   0.1575000      0.2162000       2.035500    
 H    1.167000      -2.332100      0.7767000    
 H    2.814500      -4.006800      0.1708000    
 H  -0.1206000       2.527400       1.036000    
 H  -0.3306000      3.5999999E-03  -1.574200    
 H   -4.224800      -1.202500       1.257900    
 H    6.021800      -1.316800      -2.275500    
 H    5.944000      0.2599000      -1.521700    
 H    6.670700      -1.070400     -0.6297000    
 H    4.286300       3.645000     -0.9137000    
 H   -2.479100     -0.5104000      -2.614600    
 H    4.917600      -4.617400     -0.6231000    
 H    5.443100      -3.619800      -1.977500    
 H    6.210400      -3.451400     -0.3706000    
 H   0.4815000       4.859700      0.6366000    
 H    2.690300       5.426600     -0.3397000    
 H   -4.663400      -1.602500      -2.292300    
 H   -3.895200     -0.1951000       3.521800    
 H   -2.884400       1.203400       3.085000    
 H   -2.485800      0.2302000       4.503400    
 H  -0.7221000      -2.339100       2.589600    
 H  -0.2795000      -1.054300       3.739500    
 H   -1.627300      -2.145000       4.087600    
 H   -5.475000      0.6622000      -3.373000    
 H   -6.344200       1.915600      -2.444200    
 H   -4.617100       1.617500      -2.110000    


%chk=000149729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149729

0 1
S -6.036406 -0.398071 -1.254954
O -7.492149 -1.015922 -1.657771
O -5.858259 0.511484 0.097285
N 0.133572 0.277842 1.039282
N 4.064041 1.133665 -0.455110
N -2.015224 0.007094 2.653828
N -4.584504 -2.023131 -1.011631
C 1.417536 0.532594 0.508503
C 2.265204 -0.515317 0.020731
C 3.588493 -0.152445 -0.487172
C 1.908440 1.878571 0.538782
C 4.465474 -1.183570 -1.018712
C -0.948866 -0.403358 0.476981
C 3.263819 2.117323 0.059979
C 4.053692 -2.527110 -0.992450
C 1.905796 -1.903455 0.062723
C -2.117489 -0.523375 1.317319
C 2.776253 -2.869887 -0.428061
C 1.127729 2.998786 0.991915
C -0.998302 -0.865028 -0.870026
C -3.294989 -1.065909 0.788149
C -3.362087 -1.499768 -0.574576
C 5.816788 -0.791851 -1.580116
C 3.791806 3.455466 0.109251
C -2.192194 -1.376742 -1.394411
C 4.947969 -3.628437 -1.531581
C 1.670953 4.281986 1.020431
C 3.020452 4.511246 0.585653
C -3.269693 0.538945 3.237386
C -1.264983 -0.851696 3.614523
C -5.507545 0.771888 -2.709067
H -0.168233 0.814650 1.869944
H 0.945342 -2.205717 0.488469
H 2.489821 -3.927285 -0.383728
H 0.084078 2.852657 1.293099
H -0.115277 -0.767809 -1.507284
H -4.196303 -1.164806 1.397345
H 5.890359 -1.043863 -2.656293
H 5.971958 0.289822 -1.458243
H 6.636810 -1.332838 -1.069788
H 4.816552 3.599093 -0.246772
H -2.232448 -1.692357 -2.444891
H 4.449816 -4.611279 -1.481235
H 5.230903 -3.442223 -2.584982
H 5.893893 -3.698135 -0.960251
H 1.062549 5.126074 1.362845
H 3.433093 5.525526 0.617895
H -4.536751 -2.381113 -1.990932
H -3.957244 -0.261364 3.591707
H -3.805207 1.143589 2.487922
H -3.017410 1.178509 4.101877
H -0.321965 -1.200793 3.162148
H -1.023525 -0.266722 4.519805
H -1.857512 -1.742734 3.918788
H -5.638883 0.201857 -3.639129
H -6.190352 1.630791 -2.646568
H -4.463797 1.057949 -2.518329


