%chk=000149487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149487

0 1
 S    4.103600       3.947900      0.3414000    
 S   -5.738600       2.095300      0.7687000    
 O    5.076900       4.975800      2.2299999E-02
 O    2.686100       4.250600      0.3437000    
 O   -7.002900       2.299300       1.451000    
 O   -4.510000       2.635100       1.316600    
 N  -0.5719000      -1.446000      -1.367300    
 N    3.118000      -1.915700      0.5645000    
 N    4.436200       2.563700     -0.6277000    
 N   -5.572500      0.4167000      0.4209000    
 C   0.6792000      -1.605200     -0.7120000    
 C    1.597700     -0.5505000     -0.7058000    
 C   0.9814000      -2.815200     -7.9300001E-02
 C    2.822000     -0.7522000     -4.6399999E-02
 C    2.229700      -2.928300      0.5556000    
 C    1.320500      0.6763000      -1.333700    
 C    3.740600      0.2941000     -3.6899999E-02
 C    3.468400       1.514500     -0.6598000    
 C   -1.817200     -0.9831000     -0.9224000    
 C    2.255800       1.706400      -1.309800    
 C   7.7299997E-02  -3.891800     -6.9799997E-02
 C    2.536500      -4.130600       1.187400    
 C   0.4081000      -5.083000      0.5689000    
 C   -2.905900     -0.9287000      -1.800100    
 C   -1.984300     -0.5693000      0.4041000    
 C    1.640300      -5.202400       1.198800    
 C   -4.304200     -5.5700000E-02 -3.3599999E-02
 C   -4.145200     -0.4664000      -1.357200    
 C   -3.223600     -0.1071000      0.8471000    
 C    4.529200       3.315700       1.948800    
 C   -5.931200       2.739800     -0.8782000    
 H  -0.5424000      -1.728000      -2.342700    
 H   0.3853000      0.8572000      -1.857200    
 H    4.694800      0.1567000      0.4706000    
 H    2.029800       2.642900      -1.812000    
 H  -0.8928000      -3.834000     -0.5567000    
 H    3.495800      -4.248800       1.688000    
 H    5.409800       2.232400     -0.5960000    
 H  -0.2912000      -5.913400      0.5738000    
 H   -2.797200      -1.244800      -2.834700    
 H   -1.161000     -0.6007000       1.113100    
 H    1.908500      -6.127800       1.699900    
 H   -4.979900     -0.4294000      -2.052500    
 H   -3.334800      0.1971000       1.884600    
 H   -6.374100     -1.0100000E-02 -6.3000001E-02
 H    4.425800       4.131400       2.668100    
 H    3.845500       2.506900       2.211900    
 H    5.563800       2.968300       1.932400    
 H   -6.784500       2.252800      -1.353700    
 H   -6.117000       3.813400     -0.7984000    
 H   -5.013700       2.568100      -1.443200    


%chk=000149487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149487

0 1
S 5.228053 3.948385 -0.312126
S -6.512675 1.000110 1.096288
O 6.791085 4.362995 -0.202874
O 4.197880 4.692551 -1.315964
O -8.137131 1.036730 1.037534
O -5.700935 0.919578 2.500361
N -0.487006 -0.868579 -1.468829
N 3.052047 -1.905270 0.762852
N 5.280769 2.109923 -0.805047
N -5.959695 -0.622307 0.036394
C 0.645690 -1.217517 -0.688770
C 1.772838 -0.338294 -0.689425
C 0.726431 -2.455642 0.030687
C 2.973381 -0.749707 0.031042
C 1.955414 -2.729669 0.773398
C 1.781058 0.941664 -1.350100
C 4.120941 0.110664 0.024689
C 4.114953 1.316834 -0.688606
C -1.839845 -0.809458 -1.072481
C 2.913534 1.743845 -1.372456
C -0.302150 -3.459866 0.012421
C 2.054573 -3.951341 1.528264
C -0.160260 -4.640559 0.737782
C -2.834342 -0.605154 -2.073447
C -2.244611 -0.906630 0.291967
C 1.020873 -4.882145 1.518576
C -4.601810 -0.635889 -0.362952
C -4.188033 -0.487296 -1.721161
C -3.602035 -0.838046 0.636218
C 4.441521 4.013527 1.444697
C -5.841418 2.564786 0.179390
H -0.283028 -0.470774 -2.388519
H 0.871883 1.304961 -1.841802
H 4.998449 -0.226763 0.587076
H 2.923304 2.699680 -1.905140
H -1.204017 -3.296810 -0.583255
H 2.980210 -4.114436 2.088232
H 6.155272 1.729421 -0.409640
H -0.953074 -5.395550 0.709554
H -2.537368 -0.537104 -3.127290
H -1.495326 -1.041904 1.076832
H 1.108960 -5.810787 2.092649
H -4.938648 -0.315004 -2.503064
H -3.918829 -0.934422 1.678938
H -6.635096 -0.603145 -0.752850
H 4.328314 5.084107 1.664953
H 3.475473 3.495061 1.374879
H 5.150484 3.516983 2.120835
H -6.414088 2.652750 -0.753852
H -6.033435 3.398238 0.869278
H -4.768033 2.397475 0.015965


