%chk=000018296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018296

1 1
 S   -2.594800      -1.380800       1.055500    
 S    1.830800      -1.029200      0.2592000    
 N   -3.024500      0.5806000     -0.4473000    
 N    3.641900      0.9399000      0.3752000    
 C   -4.260700     -2.0999999E-03 -0.2830000    
 C    4.357800     -0.2182000      1.5699999E-02
 C   -2.098400     -3.4000002E-02  0.1876000    
 C    2.281000      0.6775000      0.5439000    
 C   -2.821300       1.763000      -1.258200    
 C    4.335100       2.204400      0.5281000    
 C   -4.221600      -1.124800      0.5345000    
 C    3.552800      -1.374300     -9.5200002E-02
 C  -0.1103000       1.227900       1.052800    
 C  -0.6906000      0.3780000      0.1800000    
 C    1.306900       1.536000      0.8845000    
 C   -5.467000      0.4357000     -0.8482000    
 C    5.723800     -0.3237000     -0.2294000    
 C   -5.383900      -1.854700      0.8202000    
 C    4.081000      -2.610400     -0.4411000    
 C   -2.513700       1.350400      -2.683800    
 C    4.413300       2.956500     -0.7844000    
 C  -0.8378000       1.872200       2.206500    
 C   -6.628900     -0.2892000     -0.5659000    
 C    6.265500      -1.565500     -0.5785000    
 C   -6.586700      -1.415800      0.2550000    
 C    5.450500      -2.699700     -0.6837000    
 H   -3.699400       2.415400      -1.224100    
 H   -2.002800       2.372700     -0.8606000    
 H    3.808800       2.832700       1.257000    
 H    5.335800       2.075900      0.9561000    
 H  -0.1941000      8.6000003E-02 -0.7407000    
 H    1.558100       2.576200       1.079800    
 H   -5.534900       1.301800      -1.497900    
 H    6.389700      0.5304000     -0.1672000    
 H   -5.359300      -2.732500       1.457800    
 H    3.453300      -3.491700     -0.5237000    
 H   -1.610300      0.7352000      -2.738300    
 H   -2.358300       2.235300      -3.308600    
 H   -3.335600      0.7709000      -3.116100    
 H    4.916100       3.918300     -0.6423000    
 H    3.414100       3.152800      -1.187500    
 H    4.970900       2.391300      -1.538100    
 H   -1.898000       1.609200       2.254300    
 H  -0.7784000       2.963300       2.126900    
 H  -0.3797000       1.571400       3.154900    
 H   -7.576100      2.8700000E-02 -0.9937000    
 H    7.331500      -1.651300     -0.7727000    
 H   -7.502900      -1.963800      0.4599000    
 H    5.890300      -3.654900     -0.9567000    


%chk=000018296-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018296

1 1
S -3.428456 1.619938 1.455464
S 1.748286 0.146200 -1.343936
N -3.039478 0.037792 -0.627334
N 3.630080 0.687654 0.430776
C -4.450714 0.148391 -0.528052
C 4.342239 0.246955 -0.714042
C -2.307852 0.711742 0.343075
C 2.247837 0.749370 0.301217
C -2.405768 -0.776582 -1.700698
C 4.344364 1.087118 1.675063
C -4.863337 0.985612 0.539677
C 3.492844 -0.114066 -1.790927
C -0.039655 1.330591 1.351785
C -0.900391 0.678959 0.428328
C 1.383504 1.266511 1.286170
C -5.418321 -0.465346 -1.356683
C 5.744805 0.137389 -0.857650
C -6.217756 1.244211 0.805134
C 3.994612 -0.595466 -3.010083
C -2.162074 -2.237889 -1.274076
C 4.737190 2.578093 1.683394
C -0.601096 2.146335 2.504931
C -6.780817 -0.211133 -1.095614
C 6.257425 -0.345539 -2.079696
C -7.181550 0.634601 -0.030117
C 5.397476 -0.711038 -3.146064
H -3.071443 -0.730215 -2.578469
H -1.466552 -0.283396 -2.001776
H 3.702249 0.835873 2.535354
H 5.237353 0.444893 1.757502
H -0.428827 0.016002 -0.301511
H 1.896107 1.735626 2.132123
H -5.134220 -1.128916 -2.177822
H 6.427022 0.424263 -0.052882
H -6.523079 1.893937 1.630257
H 3.329132 -0.871169 -3.833105
H -1.477666 -2.300738 -0.410679
H -1.710958 -2.799131 -2.110963
H -3.107161 -2.736546 -0.998871
H 5.265379 2.817210 2.622839
H 3.851210 3.232265 1.611288
H 5.409035 2.821262 0.842529
H -1.166148 3.024745 2.137573
H 0.200586 2.525926 3.158058
H -1.290567 1.551343 3.132645
H -7.541233 -0.679803 -1.727673
H 7.340775 -0.434785 -2.205161
H -8.244859 0.815941 0.151863
H 5.819468 -1.081989 -4.084660


