%chk=000062985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062985

0 1
 S   0.1026000       2.342600      -1.112000    
 O    2.341000      0.5334000      0.7958000    
 O    4.951300      -1.582200      -1.100900    
 O   -4.507100      -2.331000       1.152900    
 O   -6.214600     -0.9614000       1.396700    
 N    4.028100      -2.058300     -0.2007000    
 N   -2.743500       1.006600     -0.7598000    
 N   -3.776300      -1.111400      -1.286700    
 N   -5.025800      -1.204700       1.141100    
 C    4.007900      -1.184200       1.007700    
 C    3.661700      0.2184000      0.7383000    
 C    4.404300      -3.463900      0.1852000    
 C    2.671600      -2.067900     -0.8534000    
 C    2.245400       1.860200      0.5189000    
 C    4.410400       1.329700      0.4280000    
 C    3.490800       2.395800      0.2854000    
 C   0.8613000       2.442200      0.5249000    
 C   -1.493700       3.115400     -0.7067000    
 C   -2.423800       2.166700      3.9000001E-02
 C   -3.572000     -5.5300001E-02 -0.3913000    
 C   -4.191800     -0.1056000      0.8078000    
 C   -3.227600      -1.285200      -2.610400    
 H    3.301300      -1.637500       1.713200    
 H    5.012500      -1.248500       1.443300    
 H    5.392600      -3.425300      0.6514000    
 H    3.648700      -3.839300      0.8799000    
 H    4.437000      -4.061600     -0.7298000    
 H    2.475800      -1.079200      -1.274900    
 H    2.705000      -2.803900      -1.662200    
 H    1.929600      -2.349100     -0.1018000    
 H    5.484600       1.369000      0.3175000    
 H    3.710500       3.425600      4.2599998E-02
 H   0.9154000       3.490500      0.8370000    
 H   0.2546000       1.899900       1.256100    
 H   -1.322900       4.026900     -0.1248000    
 H   -1.956300       3.418700      -1.652600    
 H   -1.986300       1.862900      0.9961000    
 H   -3.348700       2.709700      0.2685000    
 H   -2.325700      0.9326000      -1.681600    
 H   -4.391300      -1.858400     -0.9806000    
 H   -4.181300      0.6466000       1.583600    
 H   -3.536400     -0.4672000      -3.268500    
 H   -3.587200      -2.223700      -3.043000    
 H   -2.134600      -1.324100      -2.574700    


%chk=000062985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062985

0 1
S -0.556084 3.785752 -1.126725
O 1.335064 1.263377 0.590449
O 3.859392 -2.209300 0.087274
O -1.665543 -3.151960 -0.277795
O -1.265934 -2.866721 1.971033
N 2.455830 -2.294311 0.356994
N -2.055287 1.056243 -0.577053
N -2.045399 -1.004408 -1.724378
N -1.591763 -2.363480 0.806633
C 2.013772 -1.045614 1.169378
C 2.301934 0.230105 0.445357
C 2.170961 -3.523733 1.218714
C 1.687092 -2.415599 -0.954743
C 1.825286 2.387027 -0.124787
C 3.351609 0.690103 -0.333891
C 3.040789 2.051110 -0.708270
C 1.054792 3.648459 -0.050325
C -1.872329 3.389281 0.180520
C -1.884245 1.913308 0.607651
C -1.974207 -0.317403 -0.545023
C -1.802491 -0.992119 0.698883
C -2.212580 -0.381888 -3.036597
H 0.940970 -1.116219 1.426042
H 2.615742 -1.123382 2.091104
H 2.801979 -3.435209 2.115145
H 1.100418 -3.597037 1.482891
H 2.498579 -4.397046 0.636792
H 1.848860 -1.485829 -1.518227
H 2.153664 -3.251851 -1.494811
H 0.613957 -2.611117 -0.786181
H 4.215379 0.077292 -0.579682
H 3.656067 2.712572 -1.316225
H 1.674299 4.483313 -0.411802
H 0.721429 3.877760 0.976736
H -1.705333 4.040821 1.053979
H -2.825127 3.679349 -0.296024
H -0.939115 1.666506 1.129404
H -2.723736 1.749061 1.312083
H -1.832207 1.523236 -1.463964
H -1.976037 -2.036344 -1.583565
H -1.733748 -0.453355 1.638990
H -3.121867 0.250128 -3.076069
H -2.317830 -1.176043 -3.791500
H -1.339903 0.239663 -3.323915


