%chk=000021034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021034

1 1
 S  -0.2084000      -1.190900      -1.713300    
 N    1.613600      0.6754000     -0.6950000    
 N    4.162400      -1.887500      0.2335000    
 N  -0.4299000       1.385400     -0.7421000    
 C    2.776100     -0.1834000     -0.8460000    
 C    3.005500      -1.019500      0.4073000    
 C    1.641800       1.958600     -0.1887000    
 C   0.3605000      0.3446000      -1.023900    
 C   0.3225000       2.416900     -0.2191000    
 C    5.356900      -1.100400     -8.0300003E-02
 C    4.388400      -2.693900       1.434900    
 C    2.692500       2.736800      0.2828000    
 C  -3.7999999E-02   3.685500      0.2198000    
 C    6.556300      -1.998900     -0.3302000    
 C    3.161200      -3.520200       1.780400    
 C    2.344200       4.019600      0.7295000    
 C    1.011600       4.482600      0.6985000    
 C   -1.857900      -1.200900      -1.016800    
 C   -4.420200      -1.216600      6.4700000E-02
 C   -5.794000      -1.225200      0.6447000    
 C   -2.962300      -1.222200      -1.861700    
 C   -2.023000      -1.187400      0.3638000    
 C   -4.247500      -1.230000      -1.319300    
 C   -3.308000      -1.195300      0.9063000    
 C   -6.345200      0.1920000      0.8554000    
 C   -7.758900      0.1750000       1.414700    
 H    3.606200      0.4885000      -1.078700    
 H    2.643700     -0.8205000      -1.727800    
 H    3.123100     -0.3613000       1.278200    
 H    2.090000      -1.598200      0.5655000    
 H    5.241300     -0.5544000      -1.019600    
 H    5.590300     -0.3717000      0.7059000    
 H    5.193900      -3.416500       1.268300    
 H    4.669700      -2.075300       2.296500    
 H   -1.432700       1.424700     -0.9007000    
 H    3.713700       2.378700      0.3097000    
 H   -1.064200       4.028400      0.1910000    
 H    6.962000      -2.421800      0.5939000    
 H    6.316500      -2.814900      -1.020600    
 H    7.364700      -1.414700     -0.7849000    
 H    2.362000      -2.918400       2.224200    
 H    2.767100      -4.049800      0.9062000    
 H    3.428700      -4.278000       2.525800    
 H    3.122300       4.676800       1.111600    
 H   0.7935000       5.486300       1.056900    
 H   -5.790600      -1.767500       1.599300    
 H   -6.467800      -1.791600     -1.1500000E-02
 H   -2.845600      -1.231800      -2.942300    
 H   -1.169100      -1.174500       1.036500    
 H   -5.105900      -1.244500      -1.985700    
 H   -3.429400      -1.183500       1.986300    
 H   -6.344600      0.7397000     -9.5100001E-02
 H   -5.694300      0.7484000       1.540900    
 H   -8.443500     -0.3400000      0.7334000    
 H   -7.790300     -0.3336000       2.383500    
 H   -8.123900       1.197200       1.555100    


%chk=000021034-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000021034

1 1
S -0.233714 -1.718404 -0.135507
N 1.581152 0.415898 -0.308766
N 4.685733 -1.636741 0.453400
N -0.497289 1.089548 0.128689
C 2.758139 -0.463067 -0.530324
C 3.510671 -0.821047 0.785976
C 1.618911 1.832866 -0.190452
C 0.295203 -0.003365 -0.101793
C 0.288046 2.263472 0.080102
C 5.949064 -0.859745 0.310250
C 4.811931 -2.899310 1.231860
C 2.680708 2.749420 -0.310252
C -0.035432 3.622878 0.243288
C 6.949813 -1.500065 -0.669270
C 3.749763 -3.947600 0.851754
C 2.359563 4.113993 -0.147848
C 1.028845 4.542202 0.124169
C -2.066304 -1.457484 0.038091
C -4.877864 -1.221639 0.292234
C -6.378947 -1.055159 0.430398
C -2.857702 -1.326880 -1.126198
C -2.649799 -1.489573 1.325671
C -4.257392 -1.204763 -0.987016
C -4.052182 -1.366046 1.440405
C -6.795578 0.439803 0.576759
C -8.323111 0.602717 0.715782
H 3.438771 0.054563 -1.226966
H 2.425067 -1.391607 -1.024050
H 3.777079 0.117055 1.324415
H 2.827426 -1.386055 1.446634
H 5.682145 0.146848 -0.068950
H 6.438138 -0.701715 1.302097
H 5.810413 -3.318585 1.019597
H 4.777649 -2.703173 2.331171
H -1.503283 1.020936 0.298244
H 3.706117 2.431678 -0.518130
H -1.055213 3.958559 0.451384
H 7.289537 -2.492398 -0.324393
H 6.490534 -1.625146 -1.665177
H 7.846737 -0.862252 -0.769654
H 2.721472 -3.594384 1.058718
H 3.821649 -4.194645 -0.221663
H 3.900897 -4.873576 1.435458
H 3.152927 4.862553 -0.232426
H 0.826950 5.610768 0.243497
H -6.745837 -1.609696 1.314842
H -6.893986 -1.478201 -0.452756
H -2.395609 -1.338454 -2.118388
H -2.029028 -1.629336 2.216393
H -4.877206 -1.112849 -1.885903
H -4.511502 -1.400582 2.434632
H -6.434656 1.005691 -0.305043
H -6.288258 0.873492 1.461521
H -8.850207 0.202510 -0.169909
H -8.703030 0.065960 1.604607
H -8.600917 1.666431 0.820498


