%chk=000013919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013919

0 1
 S  -9.7800002E-02  -3.362800      0.3616000    
 N    2.484500      0.9264000      0.1221000    
 N   -2.189900       1.159000     -0.1857000    
 N   0.1492000       1.074500     -3.5500001E-02
 N   -1.161500     -0.9326000      7.0299998E-02
 N    1.229800      -1.051700      0.2280000    
 C    1.249000      0.2966000      0.1041000    
 C   -1.009900      0.3968000     -4.3499999E-02
 C    3.738000      0.2285000      0.2637000    
 C   -3.493200      0.5727000     -0.2109000    
 C   6.9999998E-04  -1.591900      0.2029000    
 C    4.851000       1.226300      0.2450000    
 C   -4.507700       1.657800     -0.3778000    
 C    5.838400       1.226800     -0.6578000    
 C   -5.482500       1.910700      0.5030000    
 C   -1.598100      -3.737100     -0.5896000    
 H    3.766500     -0.3107000       1.217700    
 H    3.855800     -0.5058000     -0.5421000    
 H   -3.585300     -0.1218000      -1.054200    
 H   -3.676700      6.5000001E-03  0.7102000    
 H    2.475700       1.935900      2.5400000E-02
 H   -2.066400       2.162100     -0.2680000    
 H    4.861800       1.983700       1.025100    
 H   -4.455100       2.262500      -1.280000    
 H    6.623400       1.973800     -0.6125000    
 H    5.882100      0.4899000      -1.452000    
 H   -6.194600       2.707900      0.3199000    
 H   -5.587800       1.333600       1.415000    
 H   -1.513900      -3.345600      -1.607000    
 H   -2.479500      -3.309900     -0.1039000    
 H   -1.725000      -4.821700     -0.6431000    


%chk=000013919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013919

0 1
S 0.049228 -3.332017 -0.454030
N 2.474932 1.085057 -0.474488
N -2.113493 1.227530 0.364889
N 0.181230 1.194092 -0.051224
N -1.111652 -0.880104 -0.021901
N 1.280696 -0.952637 -0.443450
C 1.285363 0.420771 -0.319666
C -0.987913 0.492182 0.089918
C 3.767779 0.434411 -0.746661
C -3.461871 0.665962 0.544085
C 0.056909 -1.522327 -0.284731
C 4.777403 0.707777 0.351907
C -4.447215 1.233168 -0.460131
C 5.996169 1.267284 0.149393
C -5.610933 1.845547 -0.128189
C -1.769635 -3.704997 -0.158288
H 3.554262 -0.646838 -0.823619
H 4.167362 0.775205 -1.721826
H -3.355779 -0.426246 0.415833
H -3.821587 0.854760 1.574760
H 2.436628 2.098428 -0.350802
H -1.978184 2.238872 0.417152
H 4.464903 0.412145 1.364063
H -4.165134 1.115936 -1.516665
H 6.700555 1.426204 0.973130
H 6.328302 1.573332 -0.851158
H -6.300722 2.222590 -0.891028
H -5.910968 1.979803 0.919173
H -2.382717 -3.204938 -0.920757
H -2.062840 -3.360798 0.843201
H -1.860077 -4.799752 -0.238490


