%chk=000163520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163520

0 1
 S    3.860600       1.672700     -0.3917000    
 O   -4.457200      -1.424600     -0.6407000    
 O   -5.103200      0.7860000     -0.8209000    
 O    4.459300       1.280200      -1.860200    
 O    3.264300       2.993600     -0.5128000    
 O    4.886500       1.406800      0.6029000    
 C   -1.287800      0.6180000      3.9799999E-02
 C   -2.205300     -0.3622000      0.8423000    
 C   -3.678300      6.8700001E-02  0.9860000    
 C   -1.450900       2.025400      0.6821000    
 C   -2.048000      -1.802300      0.3460000    
 C   0.1678000      0.1076000      0.1047000    
 C   -3.793900       1.498000       1.518700    
 C   -2.905400       2.491800      0.7784000    
 C  -0.6224000      -2.286300      0.5911000    
 C   -1.628900      0.7056000      -1.468200    
 C   0.4507000      -1.260300      0.3190000    
 C    1.250000      0.9817000     -0.1207000    
 C   -4.498900     -0.1167000     -0.2578000    
 C    1.786200      -1.702900      0.3377000    
 C    2.569500      0.5259000     -0.1050000    
 C    2.838300     -0.8161000      0.1272000    
 C    4.236600      -1.339500      0.1535000    
 C    4.496000      -2.376500     -0.9548000    
 C    4.616700      -1.930700       1.523400    
 C   -5.202200      -1.744100      -1.820000    
 H   -1.823800     -0.3610000       1.878200    
 H   -4.156700     -0.5779000       1.736700    
 H  -0.9012000       2.785800      0.1151000    
 H   -1.016000       2.020600       1.691100    
 H   -2.231700      -1.887000     -0.7291000    
 H   -2.736300      -2.482800      0.8613000    
 H   -3.496000       1.497300       2.575900    
 H   -4.833000       1.848000       1.497300    
 H   -3.305200       2.681000     -0.2236000    
 H   -2.936300       3.455200       1.301700    
 H  -0.4439000      -3.181100     -1.7899999E-02
 H  -0.5319000      -2.586300       1.643400    
 H  -0.9722000       1.423100      -1.976700    
 H   -1.494200     -0.2521000      -1.982200    
 H   -2.649200       1.040600      -1.656800    
 H    1.047800       2.027000     -0.3303000    
 H    1.983100      -2.756900      0.5225000    
 H    4.997000     -0.5996000     -6.6100001E-02
 H    3.894500      -3.281900     -0.8203000    
 H    5.549100      -2.679400     -0.9621000    
 H    4.259900      -1.960200      -1.940700    
 H    4.475200      -1.190400       2.318700    
 H    5.669300      -2.234400       1.532300    
 H    4.017500      -2.812700       1.773100    
 H   -6.263600      -1.525500      -1.668800    
 H   -5.087800      -2.813700      -2.014600    
 H   -4.810200      -1.187400      -2.676600    
 H    3.819800       1.342300      -2.608200    


%chk=000163520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163520

0 1
S 3.845325 1.833515 -0.363330
O -4.940462 -1.438339 -0.587769
O -4.959475 0.828523 -1.086012
O 4.428361 1.275315 -2.046991
O 3.102864 3.263872 -0.512679
O 5.104829 1.718869 0.651026
C -1.295558 0.578334 0.013221
C -2.218042 -0.442950 0.768937
C -3.717568 -0.003109 0.915798
C -1.437231 1.965227 0.723006
C -2.021868 -1.881378 0.246625
C 0.160454 0.059510 0.092712
C -3.802220 1.413856 1.542404
C -2.904368 2.443191 0.822051
C -0.595864 -2.359536 0.585962
C -1.633778 0.730728 -1.503740
C 0.480422 -1.314935 0.307713
C 1.232940 0.955344 -0.127381
C -4.567422 -0.107380 -0.349813
C 1.832932 -1.734598 0.292910
C 2.553085 0.484113 -0.117949
C 2.928556 -0.863762 0.075114
C 4.368029 -1.387949 0.084258
C 4.537617 -2.624570 -0.834277
C 4.818319 -1.694326 1.539009
C -5.787536 -1.661260 -1.785874
H -1.852698 -0.437618 1.822180
H -4.167889 -0.735976 1.614790
H -0.850353 2.732694 0.183800
H -1.004156 1.889002 1.742109
H -2.195201 -1.927344 -0.843669
H -2.764570 -2.559796 0.704492
H -3.481291 1.330675 2.600741
H -4.850690 1.764617 1.546066
H -3.314727 2.645198 -0.183043
H -2.932261 3.401926 1.374621
H -0.356642 -3.291801 0.039005
H -0.551911 -2.620401 1.664591
H -0.903743 1.412891 -1.976170
H -1.565451 -0.234260 -2.037295
H -2.640072 1.146758 -1.667929
H 1.053360 2.020187 -0.304724
H 2.045721 -2.798815 0.452310
H 5.035041 -0.599403 -0.305317
H 3.958226 -3.493911 -0.471868
H 5.601104 -2.924299 -0.859691
H 4.218207 -2.400502 -1.867400
H 4.783282 -0.782926 2.160444
H 5.857949 -2.069840 1.540942
H 4.174222 -2.464032 2.004381
H -6.735468 -1.105777 -1.690358
H -5.962708 -2.745906 -1.807845
H -5.262983 -1.322532 -2.695218
H 5.177459 1.885284 -2.311572


