%chk=000079515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079515

0 1
 S   0.5272000       1.137300     -6.3000000E-03
 N   -2.742200       1.705500      3.5000001E-03
 N  -0.6316000      -1.306300     -4.3000001E-03
 N   -4.413100      0.2301000      7.4999998E-03
 N   -3.027200      -1.767200      2.4999999E-03
 C    4.435400     -0.2353000     -2.4800001E-02
 C    3.251900      0.7358000     -1.4300000E-02
 C    5.768700      0.5116000      7.8999996E-03
 C    1.926200     -2.0300001E-02 -1.0900000E-02
 C    6.945600     -0.4505000      3.1700000E-02
 C  -0.8641000      1.2000000E-02 -2.9000000E-03
 C   -2.150000      0.4747000      1.0000000E-03
 C   -3.207800     -0.4245000      3.5000001E-03
 C   -4.097700       1.507800      7.3000002E-03
 C   -1.721200      -2.110700     -1.5000000E-03
 H    4.387700     -0.8651000     -0.9216000    
 H    4.368900     -0.9031000      0.8430000    
 H    3.313400       1.387200     -0.8951000    
 H    3.319600       1.377500      0.8734000    
 H    5.852100       1.162600     -0.8701000    
 H    5.814100       1.154900      0.8944000    
 H    1.867000     -0.6587000      0.8773000    
 H    1.862000     -0.6572000     -0.8998000    
 H    6.909400      -1.093100      0.9171000    
 H    6.947900      -1.089400     -0.8571000    
 H    7.888600      0.1047000      5.3500000E-02
 H   -2.269600       2.599800      2.6000000E-03
 H   -4.794600       2.333800      9.8000001E-03
 H   -1.515600      -3.175800     -2.4999999E-03


%chk=000079515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079515

0 1
S 0.516542 1.162751 0.000453
N -2.827422 1.764135 -0.001399
N -0.697876 -1.325931 -0.005973
N -4.544093 0.242195 -0.006129
N -3.111699 -1.793581 -0.009188
C 4.505029 -0.237630 0.004492
C 3.288094 0.719611 0.006010
C 5.855889 0.515410 0.007908
C 1.965452 -0.064201 0.003521
C 7.070036 -0.438144 0.004448
C -0.894914 0.017484 -0.003339
C -2.222838 0.505233 -0.003510
C -3.309724 -0.439067 -0.006461
C -4.211476 1.543144 -0.003077
C -1.802206 -2.152209 -0.008782
H 4.456750 -0.897916 -0.886312
H 4.455212 -0.903545 0.890980
H 3.338662 1.379800 -0.882899
H 3.337473 1.375902 0.897841
H 5.903702 1.182250 -0.877333
H 5.903094 1.175398 0.898266
H 1.848551 -0.698557 0.896782
H 1.852149 -0.698912 -0.889970
H 7.061970 -1.094024 0.895705
H 7.060511 -1.089026 -0.890455
H 8.023117 0.122016 0.005200
H -2.354572 2.667587 0.000879
H -4.927962 2.362338 -0.001944
H -1.586453 -3.224411 -0.010913


