%chk=000162654.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162654

0 1
 S  -0.6692000     -3.2299999E-02 -8.6099997E-02
 O   0.8020000       1.680700       1.225300    
 N    2.021000     -5.5000000E-03  0.1860000    
 C    3.334700      0.4395000      0.6356000    
 C    2.027300      -1.208500     -0.6481000    
 C    3.982600       1.417700     -0.3387000    
 C    1.906100      -2.487300      0.1741000    
 C    5.373400       1.866100      0.1160000    
 C    1.939900      -3.748600     -0.6919000    
 C   0.8382000      0.6695000      0.5276000    
 C    6.018800       2.792300     -0.9030000    
 C    1.878000      -5.007800      0.1586000    
 C   -1.882800       1.128500      0.5787000    
 C   -3.289800      0.7587000      0.1976000    
 C   -4.036700     -8.4200002E-02   1.020700    
 C   -3.848200       1.259000     -0.9788000    
 C   -5.341800     -0.4271000      0.6672000    
 C   -5.153400      0.9161000      -1.331900    
 C   -5.900100      7.3100001E-02 -0.5089000    
 H    3.211000      0.9369000       1.605000    
 H    3.975800     -0.4333000      0.8034000    
 H    1.245700      -1.165800      -1.411900    
 H    2.969100      -1.226100      -1.211400    
 H    3.336000       2.295800     -0.4611000    
 H    4.058500      0.9514000      -1.328900    
 H   0.9798000      -2.474900      0.7604000    
 H    2.725300      -2.529500      0.9031000    
 H    6.016300      0.9904000      0.2626000    
 H    5.300000       2.381300       1.080600    
 H    2.858400      -3.764200      -1.290000    
 H    1.095900      -3.740700      -1.391100    
 H    6.136700       2.291700      -1.869300    
 H    7.010000       3.102800     -0.5582000    
 H    5.413800       3.692200      -1.053300    
 H    2.728900      -5.060000      0.8454000    
 H    1.901100      -5.897000     -0.4790000    
 H   0.9569000      -5.037000      0.7493000    
 H   -1.658300       2.138700      0.2165000    
 H   -1.796200       1.161700       1.671300    
 H   -3.613200     -0.4814000       1.939300    
 H   -3.276900       1.915900      -1.629300    
 H   -5.923300      -1.083700       1.307900    
 H   -5.588200       1.305200      -2.247900    
 H   -6.916300     -0.1939000     -0.7841000    


%chk=000162654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162654

0 1
S -0.566668 -0.072866 -1.679133
O 0.414776 1.733436 0.179907
N 1.822402 -0.067994 -0.289930
C 2.838350 0.429076 0.674943
C 2.115939 -1.322242 -1.019586
C 3.850226 1.405123 0.033419
C 1.673377 -2.593215 -0.257438
C 4.919618 1.879423 1.043696
C 2.027374 -3.885610 -1.027345
C 0.666934 0.661717 -0.441688
C 5.933224 2.860016 0.415571
C 1.601623 -5.160645 -0.267899
C -1.918084 1.273193 -1.506499
C -3.044788 0.873989 -0.584939
C -2.914414 1.049417 0.818723
C -4.251277 0.334248 -1.100209
C -3.969163 0.689182 1.685060
C -5.307661 -0.026382 -0.233342
C -5.169372 0.150065 1.162817
H 2.307671 0.935650 1.500230
H 3.364125 -0.451044 1.092789
H 1.629559 -1.288595 -2.012247
H 3.207978 -1.354851 -1.201159
H 3.296649 2.277209 -0.363262
H 4.346967 0.915657 -0.829248
H 0.580997 -2.546777 -0.085432
H 2.156911 -2.611972 0.740453
H 5.459489 1.000424 1.452629
H 4.417893 2.367063 1.903922
H 3.120057 -3.916144 -1.218951
H 1.535470 -3.865644 -2.020973
H 6.474212 2.387725 -0.426048
H 6.683738 3.193780 1.155228
H 5.421458 3.758455 0.023189
H 2.101678 -5.221814 0.716983
H 1.859233 -6.073489 -0.835411
H 0.510053 -5.168628 -0.090814
H -2.254765 1.448532 -2.540350
H -1.367620 2.151094 -1.128324
H -1.981336 1.466423 1.215336
H -4.362663 0.197434 -2.183256
H -3.859239 0.832443 2.766191
H -6.235710 -0.439733 -0.644720
H -5.988422 -0.126729 1.836416


