%chk=000124488.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124488

0 1
 S    1.669000       2.055800     -0.5608000    
 O   0.9381000      -2.864700      0.5438000    
 O   0.3763000      0.4583000       1.773000    
 O    4.162400       2.467400      -2.318600    
 N   -3.211400      5.3599998E-02 -0.1592000    
 N    2.545000     -0.2566000       2.212300    
 C   -4.626700      0.1623000      0.2213000    
 C   -2.616400       1.379700     -0.3770000    
 C   -4.792800      0.9857000       1.499700    
 C   -2.716800       2.242800      0.8815000    
 C   -4.160200       2.365200       1.356600    
 C   -3.065500     -0.7753000      -1.355600    
 C   -1.664800      -1.307600      -1.501800    
 C   -1.004100      -1.845600     -0.3973000    
 C   -1.027900      -1.262800      -2.741900    
 C   0.2935000      -2.339000     -0.5332000    
 C   0.2697000      -1.756200      -2.877800    
 C   0.9304000      -2.294300      -1.773500    
 C    2.359800      -2.746200      0.5716000    
 C    2.819400      -2.696300       2.023700    
 C    2.216100      -1.529300       2.794100    
 C    1.592300      0.6408000       1.745400    
 C    2.193600       1.898300       1.163100    
 C    2.521400       3.599600     -0.9616000    
 C    3.999900       3.364400      -1.227800    
 H   -5.041200     -0.8359000      0.4076000    
 H   -5.214600      0.6145000     -0.5884000    
 H   -1.555300       1.289600     -0.6336000    
 H   -3.108100       1.896700      -1.211900    
 H   -5.857500       1.090100       1.737300    
 H   -4.327600      0.4559000       2.340700    
 H   -2.107300       1.802200       1.680300    
 H   -2.307800       3.239500      0.6807000    
 H   -4.197800       2.897600       2.313100    
 H   -4.734300       2.958200      0.6341000    
 H   -3.383200     -0.2311000      -2.255000    
 H   -3.713800      -1.659800      -1.287600    
 H   -1.490100      -1.898300      0.5738000    
 H   -1.531200     -0.8480000      -3.611000    
 H   0.7629000      -1.726800      -3.845100    
 H    1.928400      -2.692900      -1.928900    
 H    2.797900      -3.624400      8.3499998E-02
 H    2.711700      -1.842400      5.8400001E-02
 H    2.530800      -3.625800       2.528900    
 H    3.913800      -2.633700       2.048800    
 H    2.618200      -1.522900       3.813100    
 H    1.129500      -1.638800       2.876300    
 H    3.527200     -1.1000000E-03   2.178100    
 H    1.829400       2.748100       1.748800    
 H    3.284200       1.872700       1.225000    
 H    2.048900       3.992800      -1.867900    
 H    2.374900       4.333600     -0.1634000    
 H    4.478100       4.312400      -1.496100    
 H    4.520200       2.960300     -0.3545000    
 H    5.118500       2.362300      -2.461500    


%chk=000124488-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124488

0 1
S 3.758608 2.150628 -1.830818
O 0.900886 -2.311326 0.477064
O 0.545907 1.463811 0.654833
O 5.539520 1.845531 0.783895
N -3.707470 -0.300251 0.189901
N 2.746684 0.660622 0.689290
C -5.075542 -0.126418 0.735043
C -3.047407 1.007209 -0.073098
C -5.047943 0.680273 2.049120
C -2.963214 1.852281 1.212413
C -4.362746 2.049970 1.836314
C -3.676472 -1.207216 -0.976816
C -2.277458 -1.725075 -1.306757
C -1.301980 -1.831267 -0.294779
C -1.947342 -2.109899 -2.633027
C -0.002057 -2.289898 -0.603612
C -0.655941 -2.595459 -2.928525
C 0.333794 -2.685657 -1.921604
C 2.340519 -2.285010 0.173376
C 3.040415 -1.720473 1.414686
C 2.546038 -0.301054 1.784124
C 1.731577 1.442077 0.192086
C 2.060804 2.341334 -1.014998
C 4.778583 3.436608 -0.885991
C 4.929365 3.177529 0.611228
H -5.510612 -1.128848 0.913272
H -5.743548 0.400555 0.000107
H -2.028585 0.822074 -0.453866
H -3.609696 1.577848 -0.861191
H -6.082525 0.811083 2.422624
H -4.485556 0.100970 2.806993
H -2.295005 1.336583 1.927058
H -2.491998 2.824427 0.974601
H -4.290164 2.599115 2.794822
H -4.986190 2.667905 1.155848
H -4.108470 -0.731105 -1.896427
H -4.330800 -2.071609 -0.739547
H -1.541456 -1.508856 0.722603
H -2.695635 -2.019469 -3.429772
H -0.407179 -2.897701 -3.952478
H 1.333325 -3.059178 -2.165804
H 2.701789 -3.308799 -0.052993
H 2.525181 -1.634059 -0.704651
H 2.854969 -2.386832 2.278224
H 4.133740 -1.717180 1.228569
H 3.072175 0.043297 2.697514
H 1.465122 -0.322824 1.999427
H 3.694016 0.776583 0.296951
H 1.324322 2.111306 -1.803175
H 1.913270 3.398200 -0.730424
H 5.763367 3.404204 -1.381530
H 4.325664 4.429836 -1.052232
H 5.585163 3.965154 1.040137
H 3.944778 3.222443 1.121636
H 5.788507 1.720605 1.733954


