%chk=000021735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021735

0 1
 S   0.3896000       1.316600     -0.5003000    
 N   -3.268500     -0.2112000      0.3904000    
 N    2.982800      0.9779000      0.1376000    
 N    1.801900     -0.9361000     -0.2256000    
 C   -2.262400      0.7452000     -7.0000000E-02
 C  -0.8713000      0.1391000      6.7599997E-02
 C    3.998300     -7.7999998E-03  0.3573000    
 C    3.212000      -1.307400      0.1145000    
 C    1.810600      0.3691000     -0.1774000    
 C   -3.184900      -1.451500     -0.3799000    
 C   -4.608100      0.3661000      0.2859000    
 H   -2.321800       1.652900      0.5445000    
 H   -2.451600       1.039000      -1.111600    
 H  -0.7577000     -0.7473000     -0.5609000    
 H  -0.6684000     -0.1342000       1.109200    
 H    4.389000      3.9500002E-02   1.377800    
 H    4.822800      0.1005000     -0.3533000    
 H    3.646700      -1.879100     -0.7122000    
 H    3.215600      -1.939700       1.008600    
 H    3.135600       1.975700      0.2123000    
 H   -2.312400      -2.049900     -0.1001000    
 H   -3.176800      -1.276500      -1.462000    
 H   -4.044700      -2.095900     -0.1578000    
 H   -5.358500     -0.3255000      0.6849000    
 H   -4.876100      0.6064000     -0.7495000    
 H   -4.680900       1.282300      0.8826000    


%chk=000021735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021735

0 1
S 0.459819 1.683400 1.434472
N -3.007625 -0.275373 0.178777
N 2.842520 0.931506 0.251637
N 1.213312 -0.697627 0.182263
C -1.929879 0.740915 0.176968
C -1.109703 0.614840 1.474989
C 3.571243 -0.177952 -0.404027
C 2.434040 -1.272214 -0.490205
C 1.546499 0.518805 0.555670
C -2.555662 -1.594476 -0.311980
C -4.260701 0.165262 -0.459850
H -2.382385 1.748148 0.123142
H -1.248190 0.634034 -0.698521
H -0.759085 -0.417408 1.626019
H -1.679179 0.954099 2.354603
H 4.430291 -0.516044 0.207267
H 3.946340 0.116572 -1.402103
H 2.187690 -1.521189 -1.538449
H 2.726360 -2.207375 0.019705
H 3.255807 1.822192 0.515888
H -1.590890 -1.860480 0.151371
H -2.408885 -1.612328 -1.421578
H -3.300157 -2.368183 -0.049319
H -5.043944 -0.598896 -0.300771
H -4.168304 0.330826 -1.563946
H -4.608534 1.107148 0.000577


