%chk=000173972.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173972

0 1
 S    1.874700       2.076400      0.5201000    
 O   -1.543000      -1.073900      0.6114000    
 O   -3.359400       1.510900      0.7926000    
 O    3.243500      -1.558400       2.282800    
 O   -2.902200       1.943100      -1.435600    
 O   -4.902500      0.1102000     -0.4035000    
 O   -4.523500      -1.368700       1.318200    
 N  -0.5640000       1.063500      0.7956000    
 N    1.715800     -0.9852000      0.6356000    
 N    4.457900      -3.307600      0.5230000    
 C   0.6718000       1.199400       1.544900    
 C   0.7439000     -0.3431000       1.520100    
 C  -0.6906000     -0.2753000      0.9226000    
 C   -1.219400       2.106900      0.2248000    
 C  -0.6228000       3.311500      5.9599999E-02
 C   0.8427000       3.576500      0.3970000    
 C    2.905300      -1.549000       1.100200    
 C   -2.577600       1.852300     -0.2626000    
 C   -1.308600       4.539400     -0.4897000    
 C    3.760200      -2.137100     -1.6899999E-02
 C    4.715800      -1.099600     -0.5688000    
 C   -4.962500      -2.210900     -0.9331000    
 C   -4.734900       1.221700      0.4919000    
 C    4.325000     -0.2879000      -1.633900    
 C    5.986600     -0.9552000     -1.1800000E-02
 C   -4.770500      -1.136000      0.1411000    
 C   -3.907700      -2.034400      -2.033400    
 C   -6.361200      -2.070700      -1.555100    
 C   -4.839100      -3.598900     -0.2900000    
 C    5.204800      0.6678000      -2.142100    
 C    6.866300      6.0000003E-04 -0.5200000    
 C    6.475400      0.8120000      -1.585100    
 H   0.5205000       1.620700       2.545800    
 H   0.7410000     -0.7925000       2.521100    
 H    1.535000      -1.017300     -0.3651000    
 H    1.295000       4.195800     -0.3850000    
 H   0.9049000       4.130200       1.340200    
 H   -1.154500       5.388400      0.1852000    
 H  -0.8952000       4.796100      -1.470300    
 H   -2.389400       4.416000     -0.5999000    
 H    3.109500      -2.495800     -0.8243000    
 H    3.774100      -3.993400      0.8425000    
 H    4.981400      -3.765200     -0.2230000    
 H   -5.264200       1.038100       1.433800    
 H   -5.195500       2.103100      3.1500001E-02
 H    3.338000     -0.3898000      -2.077100    
 H    6.316100      -1.559000      0.8291000    
 H   -4.000000      -2.813600      -2.798300    
 H   -2.895200      -2.090500      -1.618800    
 H   -3.999100      -1.064400      -2.535100    
 H   -6.552300      -2.864900      -2.285500    
 H   -6.482500      -1.111100      -2.070300    
 H   -7.139700      -2.125100     -0.7853000    
 H   -4.977800      -4.393700      -1.031500    
 H   -3.851700      -3.737500      0.1658000    
 H   -5.587300      -3.741800      0.4983000    
 H    4.900000       1.300200      -2.970800    
 H    7.854300      0.1163000     -8.3899997E-02
 H    7.159900       1.557100      -1.979900    


%chk=000173972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173972

0 1
S 1.998531 2.331069 0.716258
O -1.231766 -0.655206 -0.237275
O -3.262563 1.344723 0.945207
O 2.415701 -2.178609 2.580890
O -3.395553 3.158193 -0.533093
O -4.718636 0.013393 -0.409823
O -4.387616 -1.685573 1.158459
N -0.594557 1.378070 0.962804
N 1.871253 -0.821110 0.771281
N 4.739696 -2.990267 1.433967
C 0.699012 1.336286 1.671877
C 0.734610 -0.220966 1.423628
C -0.548174 0.016744 0.548927
C -1.257461 2.543322 0.502982
C -0.572299 3.735391 0.382806
C 0.910076 3.887499 0.696740
C 2.630165 -1.799062 1.391408
C -2.716841 2.414635 0.212162
C -1.216319 5.046744 -0.019479
C 3.730030 -2.468054 0.513377
C 4.323137 -1.520657 -0.536494
C -4.530641 -2.265454 -1.265148
C -4.663927 0.988521 0.664853
C 3.813392 -1.502411 -1.859459
C 5.374378 -0.636404 -0.187611
C -4.508421 -1.350548 -0.034933
C -3.622663 -1.687093 -2.385956
C -6.007531 -2.340024 -1.764724
C -4.036467 -3.669482 -0.840623
C 4.334572 -0.601877 -2.818386
C 5.894949 0.261898 -1.143442
C 5.374881 0.285489 -2.460607
H 0.663220 1.687647 2.713617
H 0.536840 -0.789256 2.348968
H 2.144742 -0.504951 -0.163980
H 1.376404 4.541391 -0.062012
H 1.028324 4.390869 1.675375
H -0.739073 5.888392 0.517345
H -1.072665 5.224343 -1.103476
H -2.300841 5.063266 0.159264
H 3.173813 -3.267814 -0.042061
H 4.354393 -3.239296 2.351065
H 5.376594 -3.679450 1.031494
H -5.031952 0.563374 1.610317
H -5.218820 1.865219 0.300511
H 3.020072 -2.205679 -2.146505
H 5.776594 -0.689181 0.829564
H -3.629879 -2.379932 -3.247759
H -2.586556 -1.570481 -2.027852
H -3.984429 -0.700918 -2.720817
H -6.055784 -3.001210 -2.649180
H -6.379417 -1.341979 -2.053821
H -6.674428 -2.756723 -0.987652
H -4.090461 -4.356195 -1.704857
H -2.990350 -3.627131 -0.490416
H -4.650770 -4.081465 -0.021599
H 3.936236 -0.600024 -3.839151
H 6.707340 0.943258 -0.865870
H 5.783403 0.981448 -3.201984


