%chk=000123859.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123859

1 1
 S    1.193000     -0.3657000      -1.053800    
 N    2.398900     -0.1067000       1.323000    
 N   -3.751700      -1.227400     -0.4554000    
 C   -2.188400      0.3751000      0.3447000    
 C   -1.321100     -0.6750000      0.7205000    
 C   -3.428400      6.4499997E-02 -0.2561000    
 C    1.150200     -0.3108000      0.7327000    
 C    3.420500      9.1000004E-03  0.3607000    
 C  -3.7900001E-02 -0.4649000       1.337900    
 C    2.963500     -0.1035000     -0.9718000    
 C   -1.721600      -1.995500      0.4834000    
 C   -2.948800      -2.242400     -0.1091000    
 C   -1.854400       1.722900      0.5510000    
 C   -4.305700       1.084300     -0.6376000    
 C    2.716700     -1.2800000E-02   2.734800    
 C    4.777400      0.2151000      0.5912000    
 C    3.824600     -1.4700000E-02  -2.056700    
 C   -5.028100      -1.602600      -1.076200    
 C   -2.735600       2.736000      0.1674000    
 C   -3.957000       2.417400     -0.4250000    
 C    5.653300      0.3058000     -0.4961000    
 C    5.180400      0.1920000      -1.809500    
 H  -8.9900002E-02 -0.4351000       2.423700    
 H   -1.085800      -2.833600      0.7576000    
 H   -3.285000      -3.254100     -0.3045000    
 H  -0.9150000       2.017700       1.011700    
 H   -5.267200      0.8909000      -1.101700    
 H    3.416700     -0.8033000       3.027500    
 H    1.834200     -0.1164000       3.372300    
 H    3.165100      0.9598000       2.966900    
 H    5.175700      0.3077000       1.596800    
 H    3.462700     -0.1024000      -3.075900    
 H   -5.842600      -1.234100     -0.4462000    
 H   -5.121400      -2.689100      -1.158900    
 H   -5.063700      -1.176300      -2.082700    
 H   -2.468800       3.776100      0.3316000    
 H   -4.638100       3.210300     -0.7210000    
 H    6.713600      0.4667000     -0.3198000    
 H    5.876700      0.2654000      -2.640400    


%chk=000123859-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123859

1 1
S 1.802251 -1.342227 -1.140942
N 2.516170 0.381256 0.728823
N -3.802922 -1.007378 -0.906194
C -2.437159 0.549240 0.441560
C -1.202682 -0.134501 0.009758
C -3.726141 0.097084 -0.028621
C 1.363805 -0.122209 0.132159
C 3.747322 -0.117602 0.225397
C 0.070322 0.309658 0.473488
C 3.568487 -1.081980 -0.800012
C -1.391297 -1.248036 -0.873242
C -2.652718 -1.645660 -1.296143
C -2.429370 1.674804 1.321558
C -4.920747 0.754547 0.382463
C 2.445291 1.368586 1.823932
C 5.054275 0.238163 0.630319
C 4.650525 -1.713858 -1.432436
C -5.114943 -1.486219 -1.406833
C -3.606593 2.315757 1.723397
C -4.862531 1.850807 1.250826
C 6.147614 -0.391412 -0.000555
C 5.954715 -1.358013 -1.019487
H 0.060392 1.124141 1.199788
H -0.554421 -1.847254 -1.229595
H -2.777822 -2.501282 -1.963404
H -1.481311 2.065530 1.698528
H -5.893703 0.410849 0.025577
H 3.446079 1.514055 2.250212
H 1.783333 1.001538 2.626498
H 2.076951 2.341643 1.453269
H 5.235592 0.985336 1.407390
H 4.496142 -2.456209 -2.220621
H -5.759362 -1.801912 -0.569170
H -4.952511 -2.350168 -2.067377
H -5.623058 -0.695062 -1.983579
H -3.559525 3.175530 2.398159
H -5.786382 2.348211 1.561316
H 7.163767 -0.123615 0.304304
H 6.819162 -1.831741 -1.493511


