%chk=000049042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049042

0 1
 S   -4.422600      0.7567000     -0.2984000    
 O    1.897300      2.1800000E-02  0.1598000    
 O   0.8274000       2.059900      0.1613000    
 N    5.568600      0.2421000      0.4387000    
 C    4.257500     -0.3797000      0.3277000    
 C    6.551300     -0.7099000      0.9622000    
 C    6.008300      0.7596000     -0.8594000    
 C    3.164400      0.6761000      0.2863000    
 C    6.732900      -1.886300      1.8100001E-02
 C    7.345000       1.472100     -0.7422000    
 C   -7.020700     -0.2428000     -0.5414000    
 C   -7.529800      0.5074000      0.6923000    
 C   -5.553000     -0.6584000     -0.4452000    
 C  -0.4303000      4.2500000E-02 -2.0099999E-02
 C   -2.836200     -6.5899998E-02 -0.2101000    
 C   0.7898000      0.8234000      0.1067000    
 C   -1.666700      0.6844000     -8.8399999E-02
 C   -9.017700      0.8052000      0.5834000    
 C  -0.3634000      -1.349800     -7.3299997E-02
 C   -2.769300      -1.458200     -0.2631000    
 C   -1.532800      -2.100200     -0.1947000    
 H    4.049300      -1.019200       1.196500    
 H    4.162500      -1.031700     -0.5506000    
 H    7.513400     -0.2330000       1.177100    
 H    6.209800      -1.081900       1.937100    
 H    5.298000       1.519200      -1.204900    
 H    6.040300      5.9000002E-03  -1.654200    
 H    3.280800       1.349400     -0.5686000    
 H    3.171000       1.267200       1.210100    
 H    5.807300      -2.430800     -0.1880000    
 H    7.205700      -1.613700     -0.9293000    
 H    7.408400      -2.609600      0.4912000    
 H    7.355200       2.179900      9.3900003E-02
 H    8.183500      0.7784000     -0.6292000    
 H    7.535000       2.046800      -1.655800    
 H   -7.623300      -1.149400     -0.6813000    
 H   -7.175000      0.3722000      -1.437200    
 H   -6.998300       1.456100      0.8202000    
 H   -7.349800     -9.2000000E-02   1.592400    
 H   -5.313200      -1.221500      -1.353500    
 H   -5.444800      -1.309300      0.4291000    
 H   -1.721900       1.770200     -4.7200002E-02
 H   -9.229900       1.427800     -0.2916000    
 H   -9.363200       1.340400       1.473400    
 H   -9.598000     -0.1191000      0.4970000    
 H   0.5764000      -1.892600     -2.3700001E-02
 H   -3.625400      -2.112900     -0.3578000    
 H   -1.479800      -3.184400     -0.2364000    


%chk=000049042-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049042

0 1
S -4.464733 0.612249 -0.050611
O 1.933186 -0.235253 0.200596
O 0.782472 1.779385 0.411290
N 5.654687 0.183512 0.239057
C 4.344138 -0.503326 0.155396
C 6.704913 -0.582700 0.954557
C 6.072245 0.797314 -1.047788
C 3.213394 0.510158 0.380925
C 7.234670 -1.856207 0.238932
C 7.197921 1.836158 -0.890414
C -7.152195 -0.014844 -0.588915
C -7.693375 0.608102 0.719166
C -5.778579 -0.695789 -0.452030
C -0.461789 -0.296278 0.067454
C -2.910713 -0.357889 -0.086433
C 0.767181 0.534260 0.243847
C -1.709047 0.371990 0.077004
C -9.098694 1.219574 0.536180
C -0.403206 -1.704305 -0.107251
C -2.853938 -1.764120 -0.257052
C -1.603194 -2.424780 -0.267810
H 4.286583 -1.278115 0.941407
H 4.183582 -1.020145 -0.819510
H 7.550627 0.099107 1.160027
H 6.291967 -0.864727 1.941959
H 5.185747 1.304654 -1.472886
H 6.378451 0.026374 -1.799434
H 3.244371 1.346052 -0.340291
H 3.248014 0.931595 1.400225
H 6.417433 -2.573180 0.036646
H 7.719767 -1.610819 -0.723372
H 7.983707 -2.366172 0.873002
H 6.913785 2.595251 -0.140519
H 8.149729 1.374116 -0.572193
H 7.382576 2.344763 -1.854373
H -7.869423 -0.783412 -0.944956
H -7.105117 0.758906 -1.380810
H -6.991614 1.385458 1.078215
H -7.723382 -0.171535 1.507249
H -5.483970 -1.182448 -1.398296
H -5.787378 -1.441915 0.362729
H -1.716453 1.459413 0.210975
H -9.086294 2.019037 -0.228432
H -9.470463 1.660812 1.478626
H -9.828314 0.453987 0.210261
H 0.566956 -2.206802 -0.114006
H -3.767615 -2.353232 -0.378520
H -1.574617 -3.511836 -0.400923


