%chk=000090694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090694

0 1
 S   -5.865300       2.267500     -0.8459000    
 S    5.864000       2.269200      0.8451000    
 N   -4.123700      0.2034000     -0.2414000    
 N    4.123200      0.2040000      0.2421000    
 C   -1.454000     -0.9486000      0.3067000    
 C    1.454200     -0.9491000     -0.3067000    
 C  -0.5991000      0.3143000      0.4724000    
 C  -0.5990000      -2.211000      0.4746000    
 C   0.5993000      0.3134000     -0.4751000    
 C   0.5992000      -2.211700     -0.4730000    
 C   -2.615100     -0.9481000       1.299100    
 C    2.616200     -0.9500000      -1.298000    
 C   -3.546100      0.2393000       1.103100    
 C    3.546800      0.2378000      -1.103000    
 C   -4.861400       1.084300     -0.4869000    
 C    4.860600       1.085300      0.4869000    
 H   -1.854300     -0.9604000     -0.7159000    
 H    1.853800     -0.9593000      0.7162000    
 H   -1.181000       1.216500      0.2588000    
 H  -0.2439000      0.3963000       1.507500    
 H  -0.2403000      -2.285200       1.509300    
 H   -1.207700      -3.103200      0.2852000    
 H   0.2442000      0.3932000      -1.510500    
 H    1.181200       1.216000     -0.2633000    
 H    1.207900      -3.103700     -0.2823000    
 H   0.2407000      -2.287400      -1.507600    
 H   -2.234900     -0.9400000       2.328200    
 H   -3.190100      -1.875800       1.182200    
 H    2.236900     -0.9435000      -2.327500    
 H    3.191100      -1.877400      -1.179200    
 H   -4.348100      0.1608000       1.850800    
 H   -3.033700       1.188400       1.299800    
 H    4.349700      0.1582000      -1.849800    
 H    3.034600       1.186600      -1.301700    


%chk=000090694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090694

0 1
S -5.668086 0.620247 -2.214573
S 5.669381 0.622634 2.212819
N -4.267993 0.436349 0.251318
N 4.268377 0.436202 -0.252197
C -1.447903 -0.780047 0.439958
C 1.448182 -0.780313 -0.439425
C -0.565487 0.489986 0.528469
C -0.562662 -2.049155 0.530608
C 0.565416 0.489377 -0.529746
C 0.563240 -2.049744 -0.528341
C -2.548444 -0.824356 1.527735
C 2.548756 -0.825895 -1.527092
C -3.564589 0.347805 1.491476
C 3.564883 0.346306 -1.492209
C -4.860859 0.511062 -0.793663
C 4.861362 0.512101 0.792628
H -1.943579 -0.783885 -0.555001
H 1.943798 -0.782643 0.555573
H -1.179686 1.401358 0.393033
H -0.117094 0.549908 1.542913
H -0.112804 -2.106192 1.544368
H -1.191621 -2.953526 0.409272
H 0.116984 0.547681 -1.544275
H 1.179363 1.401125 -0.395687
H 1.192389 -2.953817 -0.405770
H 0.113401 -2.108260 -1.542021
H -2.078750 -0.813064 2.532635
H -3.108752 -1.776244 1.442899
H 2.079102 -0.815826 -2.532025
H 3.109071 -1.777675 -1.441096
H -4.298904 0.217858 2.312025
H -3.045087 1.308487 1.677970
H 4.299134 0.215473 -2.312678
H 3.045360 1.306782 -1.679701


