%chk=000088291.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088291

0 1
 S    3.605200       1.244400      0.6690000    
 S   -3.616500       1.066200     -0.8959000    
 S    2.570900     -0.3552000       1.433200    
 S   -2.553600     -0.6539000      -1.303000    
 S   1.8000000E-03  -1.431800      0.1570000    
 N   0.6056000       1.057300      0.2226000    
 N  -0.6137000      0.9858000     -0.4281000    
 C    6.612500     -0.6340000      0.3405000    
 C   -6.604500     -0.7018000     -0.2061000    
 C    5.259900     -0.7476000     -0.4350000    
 C   -5.258000     -0.6308000      0.5851000    
 C    4.384600      0.4818000     -0.8157000    
 C   -4.391200      0.6580000      0.6874000    
 C    6.625300      0.5679000       1.303900    
 C    7.716900     -0.3742000     -0.7148000    
 C    6.998600      -1.903400       1.109500    
 C   -7.718900     -0.2192000      0.7562000    
 C   -6.614100      0.2539000      -1.414100    
 C   -6.978500      -2.113400     -0.6741000    
 C    3.216200     -1.5200000E-02  -1.693500    
 C    5.125500       1.580500      -1.579000    
 C   -3.228300      0.3771000       1.662800    
 C   -5.143300       1.895000       1.179900    
 C    1.038400     -0.1325000      0.5810000    
 C   -1.040600     -0.2548000     -0.5288000    
 H    5.478100      -1.279300      -1.374700    
 H    4.647200      -1.478500      0.1064000    
 H   -5.482700     -0.9387000       1.618600    
 H   -4.638300      -1.462100      0.2275000    
 H    5.890400      0.4420000       2.104800    
 H    7.599400      0.6246000       1.808500    
 H    6.495400       1.538400      0.8297000    
 H    8.703300     -0.3137000     -0.2387000    
 H    7.764200      -1.186300      -1.449500    
 H    7.571900      0.5621000      -1.257700    
 H    7.036700      -2.770200      0.4404000    
 H    7.978800      -1.806000       1.589200    
 H    6.263900      -2.121000       1.892600    
 H   -7.582500      0.8157000       1.077000    
 H   -7.769200     -0.8467000       1.653500    
 H   -8.701300     -0.2724000      0.2712000    
 H   -6.495800       1.307200      -1.168100    
 H   -7.583400      0.1881000      -1.926900    
 H   -5.870700     -4.2100001E-02  -2.160500    
 H   -7.018500      -2.808700      0.1717000    
 H   -7.955200      -2.131900      -1.170500    
 H   -6.236300      -2.496200      -1.383300    
 H    3.597000     -0.2624000      -2.694100    
 H    2.444100      0.7463000      -1.851100    
 H    2.762100     -0.9436000      -1.338600    
 H    5.622600       1.163600      -2.462800    
 H    4.428700       2.344300      -1.947900    
 H    5.881700       2.107000     -0.9960000    
 H   -3.617800      0.3557000       2.690100    
 H   -2.460900       1.159700       1.655100    
 H   -2.765300     -0.6036000       1.528000    
 H   -5.646000       1.682300       2.130800    
 H   -4.454100       2.726900       1.375600    
 H   -5.897900       2.273800      0.4896000    


%chk=000088291-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088291

0 1
S 3.896761 -0.691392 1.455177
S -3.913128 -0.717290 -1.429769
S 2.960039 -2.315675 0.170815
S -3.010098 -2.262197 -0.025990
S -0.033445 -3.224146 0.088723
N 0.693365 -0.642848 0.044757
N -0.711933 -0.630069 0.023443
C 7.164480 -0.479036 -0.283852
C -7.154742 -0.368822 0.345188
C 5.711796 -0.120234 -0.754358
C -5.695552 0.033526 0.755312
C 4.636638 0.559791 0.140205
C -4.638473 0.637629 -0.211746
C 7.217516 -1.279009 1.043668
C 8.062739 0.785447 -0.164457
C 7.764172 -1.372415 -1.411030
C -8.060725 0.877183 0.131067
C -7.228965 -1.285761 -0.903130
C -7.729075 -1.158540 1.559944
C 3.482918 1.060943 -0.753565
C 5.121722 1.701357 1.067648
C -3.471046 1.212840 0.616935
C -5.141532 1.695088 -1.224881
C 1.213236 -1.867771 0.102036
C -1.255061 -1.846001 0.018371
H 5.826588 0.548257 -1.636202
H 5.241406 -1.044511 -1.150246
H -5.797592 0.775005 1.578597
H -5.213169 -0.851323 1.220736
H 6.600472 -2.193858 0.991922
H 8.262468 -1.578900 1.253986
H 6.854848 -0.691500 1.905131
H 9.112777 0.486179 0.016034
H 8.038327 1.378826 -1.098811
H 7.761114 1.443590 0.667117
H 7.737046 -0.855323 -2.389514
H 8.818294 -1.623913 -1.189413
H 7.201385 -2.319656 -1.509867
H -7.776178 1.461092 -0.759905
H -8.024515 1.551284 1.008713
H -9.112265 0.559989 -0.004552
H -6.891405 -0.776226 -1.822462
H -8.275101 -1.612540 -1.060939
H -6.601226 -2.186477 -0.781058
H -7.679495 -0.556979 2.487963
H -8.788081 -1.425905 1.385254
H -7.164519 -2.094626 1.729768
H 3.843567 1.904686 -1.374295
H 2.620637 1.394383 -0.154671
H 3.127449 0.264397 -1.430899
H 5.624712 2.469932 0.451731
H 4.262595 2.177446 1.572931
H 5.836122 1.361407 1.836611
H -3.826459 2.097244 1.181538
H -2.625436 1.508657 -0.024197
H -3.091207 0.471041 1.341273
H -5.629995 2.516945 -0.668973
H -4.292874 2.122547 -1.788233
H -5.872101 1.290631 -1.945684


