%chk=000000149.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000149

0 1
 S    4.341500      -2.128500      0.2600000    
 O    1.716300     -0.5138000      0.3370000    
 O   0.5599000       2.861200      4.1800000E-02
 O    3.219800       2.231300      -1.417800    
 N  -0.5879000     -0.1792000     -8.7899998E-02
 N   -1.929800      -1.522800      -1.257800    
 N   -2.236800      0.9678000       1.278400    
 N   -4.495200      0.1824000      0.7896000    
 N   -4.942000      -1.509200     -0.8431000    
 C    1.081700       1.643800     -0.4616000    
 C    2.588600       1.579600     -0.3321000    
 C   0.6458000      0.4496000      0.3799000    
 C    2.832000      7.8900002E-02 -0.3499000    
 C    4.123600     -0.3301000      0.3353000    
 C   -1.857600      8.3999999E-02  0.3432000    
 C  -0.6841000      -1.150600      -1.049800    
 C   -2.673900     -0.7592000     -0.3937000    
 C   -4.040600     -0.6891000     -0.1428000    
 C    5.917300      -2.241400       1.138600    
 C   -3.578600      0.9454000       1.432800    
 H   0.7719000       1.553500      -1.510100    
 H    2.923600       2.049500      0.5997000    
 H   0.4887000      0.7216000       1.430600    
 H    2.824500     -0.2929000      -1.383600    
 H    4.098200     -4.0899999E-02   1.391400    
 H    4.978400      0.1562000     -0.1454000    
 H  -0.4099000       2.797700      1.1900000E-02
 H    2.923100       1.811800      -2.243200    
 H   0.1787000      -1.545600      -1.568900    
 H    6.223800      -3.289300       1.195100    
 H    5.815400      -1.854400       2.155700    
 H    6.691200      -1.681700      0.6070000    
 H   -3.977800       1.631400       2.172300    
 H   -5.930300      -1.440600     -0.6421000    
 H   -4.605200      -2.161100      -1.538600    


%chk=000000149-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000149

0 1
S 4.603529 -2.164396 0.009545
O 1.728715 -0.756460 0.647516
O 0.281802 2.617239 0.712899
O 3.099022 2.397300 -0.779752
N -0.635549 -0.521477 0.308049
N -2.114043 -2.150574 -0.345317
N -2.161311 1.449632 0.258281
N -4.435243 0.834727 -0.421588
N -5.062421 -1.376127 -0.964155
C 0.895047 1.474276 0.098379
C 2.435658 1.506577 0.159139
C 0.583900 0.133961 0.833674
C 2.806067 0.011972 -0.067099
C 4.164021 -0.384268 0.488959
C -1.859272 0.120295 0.110390
C -0.847101 -1.883437 0.029160
C -2.758951 -0.900732 -0.293829
C -4.098621 -0.494568 -0.566236
C 6.474377 -2.037712 0.183203
C -3.473638 1.716267 -0.027196
H 0.585635 1.357055 -0.969959
H 2.759177 1.849993 1.156967
H 0.443921 0.329693 1.915271
H 2.749869 -0.227583 -1.150117
H 4.175505 -0.288784 1.587926
H 4.926256 0.282282 0.046156
H -0.726696 2.469785 0.621798
H 2.615071 2.392229 -1.644825
H -0.038845 -2.604940 0.107325
H 6.879737 -3.026552 -0.082352
H 6.751085 -1.796573 1.221849
H 6.874527 -1.277452 -0.507133
H -3.789006 2.758504 0.071933
H -6.004372 -1.032785 -1.141978
H -4.833551 -2.362070 -1.074983


