%chk=000227381.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227381

0 1
 S    1.387700      -2.293600     -0.5361000    
 O    5.527100      0.6526000     -0.4304000    
 N    2.875300     -0.1550000     -4.2700000E-02
 C   -3.923300      -1.433100      0.3708000    
 C   -5.108500      -1.086100     -0.5283000    
 C   -2.802500     -0.4264000      0.2938000    
 C   -5.494300      0.3778000     -0.3594000    
 C   -4.343200       1.286000     -0.7874000    
 C   -3.011300      0.8689000     -0.2154000    
 C  -0.4878000      0.1417000      0.7688000    
 C   -1.539100     -0.7740000      0.7951000    
 C   0.8511000     -0.2445000       1.300000    
 C   -1.942300       1.777400     -0.2458000    
 C    3.535000      0.6806000      0.9512000    
 C    3.430100     -0.1000000      -1.388000    
 C    1.754000     -0.8597000      0.2428000    
 C  -0.6887000       1.416000      0.2465000    
 C    5.040300      0.4584000      0.9022000    
 C    4.940300     -0.2872000      -1.337600    
 H   -3.551700      -2.427100      9.4400004E-02
 H   -4.262500      -1.484200       1.413100    
 H   -4.850700      -1.279100      -1.577400    
 H   -5.958500      -1.732300     -0.2823000    
 H   -5.752300      0.5707000      0.6897000    
 H   -6.384400      0.6060000     -0.9563000    
 H   -4.574600       2.313800     -0.4833000    
 H   -4.261000       1.274800      -1.881500    
 H   -1.389300      -1.765700       1.216700    
 H   0.7339000     -0.9736000       2.113800    
 H    1.260500      0.6481000       1.776900    
 H    3.207000      0.4518000       1.968300    
 H    3.290300       1.721900      0.7133000    
 H    3.204300      0.9076000      -1.760500    
 H    2.978900     -0.8024000      -2.091200    
 H   -2.083200       2.774700     -0.6555000    
 H   0.1233000       2.137600      0.2133000    
 H    5.549400       1.174400       1.554900    
 H    5.307400     -0.5509000       1.237800    
 H    5.207900      -1.304000      -1.026900    
 H    5.374400     -0.1130000      -2.327000    


%chk=000227381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227381

0 1
S 1.998364 -3.032382 1.202874
O 4.593063 0.730361 -1.456512
N 2.470164 -0.649326 -0.049027
C -3.193751 -1.199492 -0.725753
C -4.307315 -0.451428 -1.490586
C -2.333549 -0.280730 0.140550
C -5.059646 0.505653 -0.539156
C -4.098770 1.591901 -0.007022
C -2.775109 1.024176 0.502765
C -0.258243 0.040439 1.451494
C -1.084486 -0.748779 0.619146
C 1.065247 -0.506375 2.000721
C -1.947417 1.812898 1.340597
C 2.401080 0.815715 -0.282111
C 3.254931 -1.340723 -1.102297
C 1.881927 -1.323269 0.994762
C -0.705858 1.337005 1.809571
C 3.828990 1.394482 -0.392192
C 4.660674 -0.720972 -1.196533
H -2.547457 -1.757053 -1.430630
H -3.661170 -1.965299 -0.071577
H -3.866618 0.135074 -2.322034
H -5.005348 -1.181022 -1.942766
H -5.474884 -0.077196 0.307408
H -5.913614 0.981437 -1.057381
H -4.585547 2.177222 0.797046
H -3.887269 2.312278 -0.825484
H -0.750133 -1.758077 0.344789
H 0.858920 -1.189494 2.841761
H 1.670019 0.326774 2.412130
H 1.839867 1.316432 0.518672
H 1.859854 0.992246 -1.232770
H 2.725672 -1.223627 -2.068532
H 3.303699 -2.412704 -0.842770
H -2.284918 2.817000 1.628649
H -0.090156 1.966965 2.464796
H 3.794393 2.460303 -0.672180
H 4.355997 1.283474 0.580851
H 5.218500 -0.909454 -0.254575
H 5.218895 -1.145530 -2.046292


