%chk=000017458.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017458

0 1
 S   -6.962500      0.6189000     -0.1902000    
 S    6.818400      0.9058000     -2.4999999E-03
 O   -3.325500     -0.5398000      -1.081600    
 O    3.436900     -0.6410000       1.230900    
 O   -5.381800      0.5800000      0.2154000    
 O    5.281900      0.4772000     -0.3491000    
 O   -7.257500     -0.4811000      -1.085900    
 O   -7.757000      0.8806000      0.9926000    
 O    7.290100      0.1352000       1.130000    
 O    7.578600       1.009000      -1.231600    
 N   -1.304000     -0.2371000      2.1100000E-02
 N    1.421100      -1.003700      0.1357000    
 C  -0.5255000      3.1500001E-02   1.237600    
 C  -0.5117000     -0.2815000      -1.210500    
 C   0.6289000     -0.9584000       1.367300    
 C   0.6428000      -1.271600      -1.081000    
 C   -2.689600     -0.3762000     -3.7200000E-02
 C    2.806800     -0.8662000      0.1944000    
 C   -3.428800     -0.3219000       1.275800    
 C    3.554000      -1.002800      -1.108100    
 C   -4.912500     -0.4886000       1.028200    
 C    5.036800     -0.8267000     -0.8615000    
 C   -6.892000       2.109900      -1.150000    
 C    6.451900       2.548500      0.5603000    
 H  -0.1393000       1.053800       1.144800    
 H   -1.139800     -4.9000001E-03   2.138500    
 H   -1.136500     -0.5473000      -2.068900    
 H  -0.1274000      0.7315000      -1.379900    
 H   0.2443000      -1.971400       1.536600    
 H    1.253700     -0.6936000       2.225900    
 H    1.257300      -1.234300      -1.981800    
 H   0.2566000      -2.294000     -0.9891000    
 H   -3.071100      -1.121600       1.931600    
 H   -3.242200      0.6537000       1.737800    
 H    3.362900      -1.989800      -1.540100    
 H    3.204000     -0.2206000      -1.790500    
 H   -5.127500      -1.444200      0.5357000    
 H   -5.447100     -0.4684000       1.984200    
 H    5.412500      -1.574400     -0.1532000    
 H    5.580900     -0.9451000      -1.805000    
 H   -6.557600       2.927900     -0.5091000    
 H   -7.894900       2.318100      -1.528500    
 H   -6.201900       1.962000      -1.982900    
 H    5.987700       3.106600     -0.2549000    
 H    7.390100       3.024900      0.8522000    
 H    5.781600       2.486500       1.419700    


%chk=000017458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017458

0 1
S -6.792609 0.745344 -0.192204
S 6.595537 1.113591 -0.058971
O -3.391188 -0.437387 -0.770197
O 3.491638 -0.523447 0.906963
O -5.375552 1.072871 1.031717
O 5.185731 0.795986 -1.291740
O -7.132226 -0.841561 -0.165001
O -7.926212 1.846892 0.124312
O 7.247121 -0.316244 0.347140
O 7.494066 2.291913 -0.694111
N -1.309307 -0.013759 0.157935
N 1.406001 -0.891195 -0.035193
C -0.374780 0.241346 1.275561
C -0.656240 -0.093905 -1.166529
C 0.750230 -0.819933 1.287880
C 0.472804 -1.150721 -1.152615
C -2.686428 -0.182307 0.259893
C 2.785550 -0.737967 -0.131025
C -3.309508 -0.049596 1.657262
C 3.410247 -0.850236 -1.529654
C -4.839624 -0.160655 1.640841
C 4.930044 -0.640041 -1.522449
C -5.872363 1.177162 -1.794494
C 5.560816 1.780952 1.384884
H 0.075626 1.247116 1.153890
H -0.907898 0.219585 2.237076
H -1.430300 -0.358480 -1.904927
H -0.232574 0.897297 -1.425272
H 0.321911 -1.811518 1.537980
H 1.522995 -0.568073 2.032009
H 1.005599 -1.128397 -2.114261
H 0.025473 -2.157822 -1.030046
H -2.915498 -0.845082 2.322568
H -3.025552 0.918721 2.110840
H 3.200185 -1.853768 -1.952653
H 2.953480 -0.111321 -2.215059
H -5.173273 -1.046809 1.066102
H -5.226952 -0.236627 2.674105
H 5.417252 -1.245995 -0.733699
H 5.358374 -0.916153 -2.503920
H -5.624985 2.243949 -1.710725
H -6.573683 0.966763 -2.614191
H -4.982561 0.529785 -1.780066
H 5.104630 2.708077 1.012663
H 6.267785 1.957277 2.207889
H 4.822314 0.989775 1.582687


