%chk=000091740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091740

0 1
 S   0.5255000     -0.4601000      0.3230000    
 O   -1.129600      0.8832000      -1.185200    
 N   -2.185000     -0.6175000      0.2455000    
 C   -3.530700     -0.3273000     -0.1926000    
 C   -3.923000       1.144900      7.7299997E-02
 C   -3.702900     -0.7273000      -1.656600    
 C   -5.373600       1.471100     -0.2908000    
 C   -3.660700       1.531200       1.537400    
 C   -2.069100      -1.633700       1.300700    
 C   -1.058500      3.0700000E-02 -0.3026000    
 C   -1.923100      -3.025500      0.7090000    
 C    1.619700      0.6044000     -0.6424000    
 C    3.068200      0.3876000     -0.3012000    
 C    3.801900     -0.5621000      -1.000200    
 C    3.654300       1.139200      0.7087000    
 C    5.145400     -0.7633000     -0.6838000    
 C    4.997900      0.9379000       1.025100    
 C    5.743400     -1.3300000E-02  0.3288000    
 H   -4.224300     -0.9598000      0.3776000    
 H   -3.300000       1.805100     -0.5383000    
 H   -3.187500     -4.2399999E-02  -2.337000    
 H   -3.310400      -1.733700      -1.839700    
 H   -4.760500     -0.7381000      -1.939200    
 H   -6.071600      0.8215000      0.2478000    
 H   -5.616500       2.509400     -4.0199999E-02
 H   -5.549900       1.349000      -1.363700    
 H   -2.599100       1.463900       1.794000    
 H   -3.968600       2.565600       1.725900    
 H   -4.220900      0.8854000       2.222100    
 H   -1.230400      -1.419200       1.967800    
 H   -2.957800      -1.590900       1.941500    
 H   -2.805200      -3.294700      0.1189000    
 H   -1.050700      -3.101600      5.3199999E-02
 H   -1.814600      -3.765900       1.507700    
 H    1.353900       1.654000     -0.4685000    
 H    1.461900      0.4165000      -1.711200    
 H    3.346400      -1.152700      -1.790100    
 H    3.083100       1.882300       1.258300    
 H    5.725800      -1.504300      -1.225700    
 H    5.463500       1.521500       1.813900    
 H    6.789400     -0.1702000      0.5752000    


%chk=000091740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091740

0 1
S 0.474801 0.197818 1.840998
O -0.705717 1.161906 -0.470605
N -1.979617 -0.412067 0.705288
C -3.083511 -0.416476 -0.323127
C -3.825632 0.957296 -0.377743
C -2.566881 -0.906518 -1.696422
C -5.011772 0.900052 -1.371165
C -4.326695 1.379372 1.023881
C -2.125018 -1.331293 1.861762
C -0.870868 0.373645 0.503931
C -1.700410 -2.780388 1.542142
C 1.737547 1.419800 1.081542
C 2.834199 0.733701 0.304186
C 2.636670 0.394224 -1.060858
C 4.077489 0.426213 0.914544
C 3.660981 -0.241807 -1.795355
C 5.103059 -0.210904 0.180248
C 4.897487 -0.547311 -1.177734
H -3.809921 -1.164513 0.057680
H -3.097433 1.709298 -0.736097
H -1.926993 -0.144507 -2.170124
H -1.974726 -1.831101 -1.575784
H -3.413275 -1.130289 -2.368000
H -5.711864 0.081839 -1.108989
H -5.580376 1.847518 -1.338678
H -4.678723 0.748327 -2.412520
H -3.499638 1.430258 1.753976
H -4.799658 2.377388 0.981124
H -5.085499 0.667052 1.405755
H -1.533025 -0.941528 2.708800
H -3.184456 -1.302423 2.177579
H -2.300993 -3.201559 0.715557
H -0.635316 -2.816913 1.255665
H -1.843643 -3.423331 2.429943
H 2.117660 1.984055 1.947702
H 1.120197 2.071200 0.439906
H 1.675461 0.631969 -1.531253
H 4.241206 0.687023 1.967748
H 3.498819 -0.495725 -2.849243
H 6.059528 -0.441084 0.663483
H 5.692651 -1.039415 -1.749346


