%chk=000163028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163028

0 1
 S   -7.651300       1.128000      0.8514000    
 O   -2.324300      -1.631800      -1.854600    
 N   0.1113000      -1.230800     -0.4160000    
 C   -1.140000     -0.5875000      3.8000001E-03
 C   -2.361000      -1.445300     -0.4306000    
 C   -3.686000     -0.8507000     -8.7700002E-02
 C    1.252000     -0.4033000     -6.4400002E-02
 C    2.550700      -1.073700     -0.5093000    
 C   -5.252200      0.9632000     -0.2206000    
 C   -4.010800      0.4285000     -0.5438000    
 C   -1.083200     -0.3887000       1.519600    
 C   -5.721500       2.342300     -0.5820000    
 C    3.767300     -0.2221000     -0.1400000    
 C   -6.150200      0.2343000      0.5649000    
 C   -4.592600      -1.577600      0.6947000    
 C   -7.246800       2.341900     -0.4410000    
 C    5.071200     -0.9087000     -0.5529000    
 C   -5.834100      -1.034300       1.029100    
 C    6.277700     -9.4200000E-02 -0.1618000    
 C    6.784800      0.8425000      -1.050400    
 C    6.861800     -0.2939000       1.080400    
 C    7.901200       1.596400     -0.6885000    
 C    7.978100      0.4602000       1.442100    
 C    8.497800       1.405300      0.5576000    
 H   -1.202500      0.3918000     -0.4877000    
 H   -2.274800      -2.444200      1.7500000E-02
 H   9.9699996E-02  -1.376200      -1.424600    
 H    1.173600      0.5850000     -0.5335000    
 H    1.342900     -0.2634000       1.016500    
 H    2.638600      -2.060800     -3.7599999E-02
 H    2.535600      -1.234400      -1.594700    
 H   -3.318400       1.006100      -1.148500    
 H  -0.4121000      0.4250000       1.812500    
 H  -0.7803000      -1.304300       2.040900    
 H   -2.062400     -0.1043000       1.919500    
 H   -5.273000       3.067000      0.1080000    
 H   -5.433200       2.612300      -1.603300    
 H    3.691200      0.7588000     -0.6260000    
 H    3.771600     -3.8899999E-02  0.9421000    
 H   -4.340800      -2.572300       1.054100    
 H   -7.634300       3.334800     -0.1958000    
 H   -7.713600       2.010000      -1.375200    
 H    5.079200      -1.082000      -1.636700    
 H    5.136800      -1.903000     -9.2299998E-02
 H   -6.530000      -1.602600       1.638100    
 H   -1.591900      -2.240000      -2.050100    
 H    6.326100       1.000200      -2.022300    
 H    6.463300      -1.026100       1.776900    
 H    8.305600       2.332800      -1.376900    
 H    8.442400      0.3119000       2.412700    
 H    9.366900       1.992600      0.8394000    


%chk=000163028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163028

0 1
S -7.867035 -0.950730 0.319154
O -1.386085 -0.081568 -1.513875
N 0.059618 1.399282 0.065350
C -1.252531 1.006222 0.670416
C -1.747678 -0.274508 -0.112833
C -3.247314 -0.492411 0.021363
C 1.272150 0.649059 0.483238
C 2.492785 1.068974 -0.359257
C -5.531232 -0.024106 -0.738241
C -4.142098 0.146887 -0.875787
C -1.250673 0.810271 2.199841
C -6.617117 0.636416 -1.577902
C 3.773766 0.301395 0.035516
C -6.035075 -0.845085 0.305536
C -3.772153 -1.313510 1.049243
C -7.892920 -0.227376 -1.451033
C 5.008514 0.720968 -0.809936
C -5.167890 -1.495211 1.203400
C 6.260611 -0.057759 -0.433323
C 7.158014 0.433506 0.549926
C 6.535219 -1.317851 -1.026094
C 8.296068 -0.312164 0.933379
C 7.671423 -2.067611 -0.647250
C 8.556496 -1.567185 0.336057
H -1.955454 1.822508 0.410694
H -1.214343 -1.160956 0.302149
H 0.213251 2.415104 0.100945
H 1.507407 0.785673 1.563354
H 1.077260 -0.429523 0.329743
H 2.265348 0.900464 -1.430386
H 2.667444 2.160001 -0.239889
H -3.723155 0.741881 -1.694440
H -0.903772 1.724046 2.716786
H -0.594034 -0.025958 2.502404
H -2.270852 0.583583 2.555358
H -6.816362 1.653431 -1.182414
H -6.320949 0.744012 -2.637256
H 3.998084 0.465026 1.108926
H 3.607641 -0.787860 -0.086200
H -3.087400 -1.838857 1.727059
H -8.825238 0.345323 -1.567803
H -7.880445 -1.080565 -2.148766
H 5.179647 1.807081 -0.673339
H 4.770289 0.565357 -1.880683
H -5.557372 -2.146240 1.992532
H -0.617555 0.583160 -1.443235
H 6.965992 1.409775 1.013343
H 5.856396 -1.710292 -1.794126
H 8.980218 0.085861 1.691712
H 7.869224 -3.036708 -1.119657
H 9.439967 -2.145430 0.629300


