%chk=000097107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097107

0 1
 S   0.2588000      0.9079000       1.658700    
 S   -1.434700       3.259500     -0.3107000    
 P  -0.8637000       1.396600     -0.1015000    
 N   0.2697000      0.9511000      -1.237500    
 C    1.465000      0.4037000     -0.7394000    
 C    1.615500      0.3127000      0.6564000    
 C   -2.157100      0.1971000     -3.2200001E-02
 C    2.777900     -0.2187000       1.211300    
 C    2.490100     -3.8500000E-02  -1.575200    
 C    3.797300     -0.6614000      0.3677000    
 C    3.654400     -0.5714000      -1.019300    
 C   -2.117400     -0.9221000     -0.8646000    
 C   -3.219900      0.3670000      0.8559000    
 C    5.046300      -1.233100      0.9496000    
 C   -3.139300      -1.870100     -0.8092000    
 C   -4.241600     -0.5810000      0.9113000    
 C   -4.201300      -1.699500      7.8699999E-02
 H   0.1727000      0.9890000      -2.246700    
 H    2.892800     -0.2869000       2.290100    
 H    2.392100      2.6300000E-02  -2.655400    
 H    4.447800     -0.9128000      -1.679400    
 H   -1.303300      -1.077800      -1.564600    
 H   -3.260600       1.229200       1.515100    
 H    4.841400      -1.749300       1.893700    
 H    5.497400      -1.968300      0.2745000    
 H    5.773000     -0.4360000       1.135400    
 H   -3.108200      -2.741000      -1.457300    
 H   -5.067700     -0.4492000       1.603900    
 H   -4.996700      -2.437700      0.1222000    


%chk=000097107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097107

0 1
S 0.418399 0.217689 1.943653
S -1.394305 3.253119 0.385857
P -0.908128 1.234469 0.304934
N 0.236908 0.723443 -0.943334
C 1.531364 0.266920 -0.607615
C 1.800603 -0.014330 0.760813
C -2.378720 0.110587 0.137398
C 3.075135 -0.454717 1.168431
C 2.562613 0.090597 -1.560757
C 4.110357 -0.646134 0.217027
C 3.829402 -0.372609 -1.145929
C -2.183198 -1.267745 -0.115958
C -3.677546 0.650365 0.270615
C 5.491850 -1.099661 0.658225
C -3.307878 -2.110540 -0.247320
C -4.797198 -0.202035 0.141916
C -4.613965 -1.579916 -0.116970
H 0.071730 1.051255 -1.897659
H 3.268746 -0.654266 2.228434
H 2.371474 0.305579 -2.618375
H 4.616637 -0.514095 -1.895679
H -1.169721 -1.671719 -0.209616
H -3.798136 1.722706 0.464666
H 5.439327 -1.774699 1.530838
H 6.018181 -1.633941 -0.152220
H 6.123307 -0.237250 0.948216
H -3.165960 -3.178287 -0.445831
H -5.806985 0.209534 0.243666
H -5.483594 -2.239020 -0.215924


