%chk=000175473.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175473

1 1
 S   -2.456600       1.469400     -0.4497000    
 O   -7.542200      0.5016000      0.2194000    
 N    5.993700      0.1139000     -6.3400000E-02
 N   -2.267700      -1.020200     -0.2117000    
 N  -0.1765000      3.3000000E-02 -0.5557000    
 N   0.4294000      0.1504000      0.5558000    
 C    6.839700      0.8416000      0.8615000    
 C    6.607200     -0.6347000      -1.142300    
 C    4.591900      0.1229000      9.2500001E-02
 C   -3.614800     -0.7656000     -8.7499999E-02
 C   -3.918500      0.5860000     -0.1942000    
 C   -1.516900      4.1800000E-02 -0.4061000    
 C    3.892900       1.329100      4.5899998E-02
 C    3.904600      -1.074100      0.2937000    
 C   -4.623600      -1.716200      0.1241000    
 C    7.211400     -4.3000001E-02   2.035900    
 C    6.721600      0.2331000      -2.380900    
 C   -5.240300       1.042100     -9.3599997E-02
 C   -1.708400      -2.352100     -0.1361000    
 C    1.826200      0.1411000      0.4003000    
 C   -6.245600      9.1600001E-02  0.1176000    
 C    2.506600       1.338100      0.2001000    
 C    2.518400      -1.065000      0.4479000    
 C   -5.943400      -1.265600      0.2249000    
 C   -7.789200       1.900700      0.1017000    
 H    7.756400       1.170300      0.3568000    
 H    6.352900       1.752400       1.228500    
 H    7.608800     -0.9711000     -0.8483000    
 H    6.041900      -1.542500      -1.382300    
 H    4.411100       2.269900     -0.1205000    
 H    4.434300      -2.021900      0.3443000    
 H   -4.411700      -2.776800      0.2140000    
 H    6.322500     -0.3574000       2.593000    
 H    7.735200     -0.9460000       1.705300    
 H    7.868600      0.4970000       2.724800    
 H    5.735600      0.5539000      -2.733300    
 H    7.314900       1.132300      -2.183900    
 H    7.205900     -0.3221000      -3.190200    
 H   -5.417800       2.106600     -0.1846000    
 H   -2.243800      -3.017300     -0.8212000    
 H  -0.6522000      -2.384200     -0.4166000    
 H   -1.806200      -2.726100      0.8880000    
 H    1.969300       2.281900      0.1606000    
 H    1.990900      -2.001600      0.6073000    
 H   -6.739100      -1.988200      0.3897000    
 H   -8.869200       2.047500      0.2069000    
 H   -7.512600       2.277700     -0.8889000    
 H   -7.311800       2.464600      0.9104000    


%chk=000175473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175473

1 1
S -2.311926 -0.534992 1.229106
O -7.655383 -0.249258 0.835101
N 6.127217 -0.220270 0.119190
N -2.502993 0.544822 -1.202771
N -0.232796 0.204657 -0.554042
N 0.518636 -0.258992 0.471778
C 6.872648 0.192230 -1.103514
C 6.974493 -0.629018 1.274658
C 4.755605 -0.223504 0.180085
C -3.841922 0.388316 -0.781655
C -3.950699 -0.182732 0.514418
C -1.559244 0.124560 -0.301918
C 3.955668 0.265208 -0.929766
C 4.054034 -0.710992 1.348713
C -5.007213 0.735009 -1.509560
C 7.122627 1.715008 -1.167679
C 7.243929 -2.149422 1.312079
C -5.194397 -0.424329 1.118846
C -2.150466 1.121712 -2.518827
C 1.881032 -0.215562 0.297745
C -6.357577 -0.074501 0.382745
C 2.571771 0.269092 -0.872586
C 2.667884 -0.703948 1.399306
C -6.254957 0.501082 -0.921206
C -7.865577 -0.839100 2.168871
H 7.837208 -0.344823 -1.089099
H 6.334260 -0.160226 -1.999641
H 7.928911 -0.081074 1.184918
H 6.505878 -0.286556 2.212879
H 4.445590 0.654490 -1.825340
H 4.609357 -1.107025 2.201106
H -4.945536 1.174982 -2.508503
H 6.175739 2.280921 -1.199657
H 7.698024 2.062287 -0.291578
H 7.703720 1.960716 -2.073828
H 6.308951 -2.725344 1.421199
H 7.748445 -2.488701 0.390323
H 7.900507 -2.391156 2.166208
H -5.257843 -0.864684 2.116388
H -2.554762 2.145004 -2.596449
H -1.056135 1.148343 -2.602081
H -2.568929 0.495359 -3.324628
H 1.980551 0.646649 -1.711816
H 2.135846 -1.077802 2.279712
H -7.181952 0.751882 -1.443509
H -8.956303 -0.873498 2.292274
H -7.418385 -0.203276 2.955486
H -7.449739 -1.862745 2.216417


