%chk=000051235.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051235

0 1
 S    4.147200      -2.733600      0.2913000    
 N   0.1738000     -0.4750000     -2.2100000E-02
 N    1.528900       1.427400     -0.5048000    
 N   -3.550600       1.215100      0.9208000    
 N    2.498300     -0.6978000     -0.1693000    
 N    1.572800      -2.759900      0.5248000    
 C    2.828100       3.465900     -0.9768000    
 C    2.871600       1.963200     -0.6771000    
 C   -1.094600      7.6399997E-02  0.2779000    
 C    2.143600       4.250400      0.1434000    
 C    4.221100       4.031900      -1.255900    
 C   -2.269000     -0.4128000     -0.3099000    
 C   -3.491900      0.1941000      4.4900000E-02
 C    1.398600      0.1627000     -0.2132000    
 C   -1.152000       1.128200       1.180900    
 C   -2.394300       1.657500       1.465700    
 C   -2.244600      -1.476600      -1.227800    
 C   -4.658200     -0.2923000     -0.5394000    
 C   -3.426100      -1.943000      -1.796800    
 C   -4.634200      -1.349800      -1.451900    
 C   -2.504500       2.789900       2.431500    
 C    2.598800      -2.010100      0.2115000    
 C    3.401700      -4.194300      0.7932000    
 C    2.035600      -4.017600      0.8592000    
 H    2.227400       3.610600      -1.885000    
 H    3.369200       1.468500      -1.521000    
 H    3.470900       1.801700      0.2281000    
 H    2.672800       4.123600       1.094000    
 H    2.121100       5.320400     -9.0000004E-02
 H    1.108000       3.924700      0.2852000    
 H    4.871500       3.929000     -0.3807000    
 H    4.166100       5.094300      -1.515600    
 H    4.692900       3.506700      -2.092900    
 H   0.1549000      -1.483000     -0.1376000    
 H  -0.2618000       1.520500       1.662200    
 H   -1.319500      -1.960000      -1.529600    
 H   -5.617500      0.1554000     -0.2860000    
 H    3.398000     -0.2805000     -0.3890000    
 H   -3.403700      -2.763700      -2.507300    
 H   -5.561000      -1.707000      -1.891500    
 H   -3.546200       3.105400       2.551100    
 H   -2.127500       2.490000       3.414500    
 H   -1.930100       3.651100       2.075300    
 H    3.978100      -5.082700       1.008000    
 H    1.325600      -4.780500       1.148700    


%chk=000051235-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051235

0 1
S 4.056828 -3.016499 -0.648793
N 0.206623 -0.337711 -0.174896
N 1.656472 1.569837 -0.190839
N -3.692061 1.406184 0.225041
N 2.546602 -0.660606 -0.390324
N 1.400892 -2.785675 -0.400917
C 2.988681 3.664460 -0.108346
C 3.019548 2.126501 -0.289491
C -1.058142 0.265865 -0.042062
C 2.482790 4.040783 1.300865
C 4.383089 4.266205 -0.391311
C -2.219909 -0.608045 0.020976
C -3.514196 0.027366 0.154619
C 1.452336 0.278898 -0.244724
C -1.260168 1.652274 0.030644
C -2.586080 2.179778 0.163046
C -2.160093 -2.037978 -0.040520
C -4.688904 -0.788017 0.220357
C -3.325735 -2.808805 0.026575
C -4.601514 -2.180741 0.157775
C -2.786008 3.680243 0.238765
C 2.502366 -2.038866 -0.458701
C 3.015988 -4.494433 -0.634827
C 1.687406 -4.153294 -0.499019
H 2.268717 4.057017 -0.854235
H 3.474012 1.901824 -1.284181
H 3.702512 1.707650 0.492240
H 3.200331 3.707294 2.076498
H 2.362253 5.135108 1.400433
H 1.509605 3.561164 1.504240
H 5.136617 3.870588 0.318000
H 4.365585 5.365289 -0.278682
H 4.726790 4.036766 -1.418179
H 0.249699 -1.374643 -0.229876
H -0.397387 2.317374 -0.017784
H -1.199195 -2.555960 -0.141495
H -5.647526 -0.269752 0.321181
H 3.465664 -0.219594 -0.440991
H -3.260179 -3.901564 -0.021161
H -5.508247 -2.793612 0.208984
H -3.858453 3.906046 0.341962
H -2.243249 4.111151 1.101245
H -2.399728 4.179085 -0.670097
H 3.470195 -5.477408 -0.726657
H 0.864473 -4.867147 -0.464338


