%chk=000113903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113903

1 1
 S   0.3178000       1.495600      -1.144300    
 S    3.091300       1.051500       1.429700    
 O   -4.706500       1.135300      0.1951000    
 N   0.4432000     -0.7914000     -0.1224000    
 C  -0.8766000     -0.4256000      1.7700000E-02
 C   -1.142600      0.8360000     -0.4999000    
 C    1.207900      0.1017000     -0.7113000    
 C   0.9541000      -2.063800      0.3431000    
 C   -1.892500      -1.191600      0.6069000    
 C   -3.180500     -0.6500000      0.6590000    
 C   -2.432400       1.382900     -0.4498000    
 C   -3.444900      0.6167000      0.1387000    
 C    2.583000     -2.9200001E-02 -0.9718000    
 C   0.8556000      -3.126200     -0.7351000    
 C    3.563200      0.3811000     -0.1235000    
 C   -4.274200      -1.454700       1.284100    
 C    5.049600      0.2475000     -0.3886000    
 C    5.626100      -1.067200      0.1228000    
 C   -5.566500      0.8616000     -0.9075000    
 C    3.824700       2.689800       1.257200    
 H    1.997100      -1.969500      0.6644000    
 H   0.4213000      -2.385000       1.243900    
 H   -1.708600      -2.183600       1.006300    
 H   -2.639600       2.369200     -0.8538000    
 H    2.867800     -0.4738000      -1.922000    
 H  -0.1826000      -3.277300      -1.046600    
 H    1.243500      -4.080500     -0.3658000    
 H    1.431000      -2.845100      -1.622600    
 H   -3.872200      -2.233900       1.941100    
 H   -4.923000     -0.8272000       1.904200    
 H   -4.876500      -1.941000      0.5106000    
 H    5.217300      0.2941000      -1.472800    
 H    5.620700       1.083100      2.6300000E-02
 H    6.687900      -1.138700     -0.1338000    
 H    5.112200      -1.925500     -0.3232000    
 H    5.536200      -1.143400       1.211400    
 H   -6.549700       1.287100     -0.6886000    
 H   -5.679600     -0.2157000      -1.062200    
 H   -5.178700       1.330400      -1.817600    
 H    3.604200       3.122900      0.2774000    
 H    4.906300       2.655900       1.408800    
 H    3.401700       3.347300       2.022100    


%chk=000113903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113903

1 1
S 0.409694 1.482225 0.290629
S 3.389889 2.321949 0.197324
O -4.848005 1.084086 0.690249
N 0.273441 -1.149639 0.142164
C -1.081957 -0.737341 0.235475
C -1.215019 0.670384 0.333428
C 1.202562 -0.132097 0.120607
C 0.635652 -2.594652 0.037232
C -2.232290 -1.558319 0.263182
C -3.512461 -0.976617 0.384451
C -2.469262 1.283078 0.453769
C -3.615318 0.454428 0.470207
C 2.604519 -0.343171 -0.038753
C 0.700946 -3.082893 -1.422874
C 3.666275 0.561493 -0.056913
C -4.747963 -1.847388 0.474573
C 5.079980 0.036483 -0.210826
C 5.781932 -0.172287 1.163682
C -5.784210 1.171778 -0.455979
C 5.053554 3.140565 -0.155001
H 1.593644 -2.750337 0.559470
H -0.120392 -3.157991 0.607977
H -2.151665 -2.647882 0.203382
H -2.596237 2.364465 0.548165
H 2.905965 -1.385882 -0.185620
H -0.267608 -2.951103 -1.934575
H 0.952080 -4.157569 -1.440135
H 1.470181 -2.541780 -2.000423
H -4.503686 -2.846723 0.871413
H -5.502296 -1.385451 1.133621
H -5.217683 -1.995264 -0.516633
H 5.044977 -0.928831 -0.748124
H 5.686605 0.717990 -0.832874
H 6.808217 -0.545453 1.005091
H 5.236118 -0.910038 1.776673
H 5.842294 0.765659 1.743201
H -6.671138 1.686355 -0.060424
H -6.066778 0.171963 -0.831564
H -5.332186 1.766635 -1.271056
H 5.318132 3.024512 -1.215607
H 5.834648 2.741270 0.506023
H 4.881350 4.203190 0.072991


