%chk=000117892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117892

0 1
 S   -1.296100     -0.9629000      0.1732000    
 O   -1.328800      -1.983300       1.204800    
 O  -0.7186000      -1.275100      -1.121200    
 O    6.650800      -1.470700     -0.3387000    
 O    6.484200      0.7198000      0.2365000    
 N  -0.5618000      0.4663000      0.8062000    
 C    1.335000       1.773400     -2.8600000E-02
 C  -0.1639000       1.523400     -0.1500000    
 C    2.182700      0.5316000     -0.3151000    
 C    3.682100      0.7620000     -0.1173000    
 C    4.474900     -0.5248000     -0.3468000    
 C   -1.122300       1.029200       2.063200    
 C   -2.966300     -0.4456000     -0.1076000    
 C   -3.305600      9.5200002E-02  -1.334000    
 C   -3.895500     -0.5932000      0.9055000    
 C    5.954700     -0.3259000     -0.1131000    
 C   -4.621000      0.5032000      -1.555100    
 C   -5.210900     -0.1853000      0.6843000    
 C   -5.573600      0.3629000     -0.5461000    
 H    1.619400       2.573000     -0.7232000    
 H    1.563100       2.137400      0.9809000    
 H  -0.3974000       1.237300      -1.180300    
 H  -0.7170000       2.449800      4.2500000E-02
 H    1.998300      0.1984000      -1.343800    
 H    1.874600     -0.2885000      0.3440000    
 H    4.030300       1.543000     -0.8044000    
 H    3.865300       1.131100      0.8995000    
 H    4.334200     -0.8675000      -1.377800    
 H    4.126900      -1.304500      0.3399000    
 H   -1.341300      0.2301000       2.776900    
 H   -2.030800       1.605100       1.866800    
 H  -0.3833000       1.686100       2.532900    
 H   -2.578200      0.2170000      -2.130300    
 H   -3.631900      -1.012500       1.871400    
 H   -4.903300      0.9314000      -2.512500    
 H   -5.952500     -0.2929000       1.470400    
 H   -6.597700      0.6812000     -0.7180000    
 H    7.612500      -1.349300     -0.1879000    


%chk=000117892-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117892

0 1
S -1.788754 -1.318846 0.181116
O -2.038254 -2.305128 1.449816
O -1.270443 -1.839417 -1.270052
O 7.211513 -0.788535 -0.253702
O 6.640920 1.400553 0.264103
N -0.464371 -0.094797 0.759838
C 1.303507 1.416873 -0.128671
C -0.143644 0.896410 -0.301384
C 2.370893 0.313158 -0.281728
C 3.803796 0.853648 -0.089999
C 4.863461 -0.251130 -0.259078
C -0.804735 0.456383 2.090319
C -3.413506 -0.374253 -0.114447
C -3.646017 0.159616 -1.393445
C -4.319477 -0.268762 0.954638
C 6.280045 0.244849 -0.049674
C -4.858048 0.858033 -1.602113
C -5.526165 0.432957 0.725466
C -5.789581 0.997392 -0.545465
H 1.462606 2.204986 -0.892908
H 1.412945 1.913588 0.856167
H -0.217816 0.374233 -1.273887
H -0.860257 1.750400 -0.294865
H 2.273389 -0.147644 -1.286448
H 2.160552 -0.492024 0.448022
H 4.004624 1.667444 -0.813791
H 3.906822 1.307592 0.914615
H 4.807587 -0.709077 -1.266002
H 4.687382 -1.082812 0.451617
H -1.169230 -0.363465 2.732025
H -1.554595 1.278657 2.057293
H 0.124550 0.847219 2.541460
H -2.923123 0.002500 -2.200624
H -4.100876 -0.747737 1.914730
H -5.076693 1.281263 -2.588070
H -6.259248 0.528473 1.533217
H -6.728057 1.535628 -0.716703
H 8.129497 -0.432327 -0.104287


