%chk=000099602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099602

0 1
 S    2.286700       1.811200      -1.064800    
 S  -9.0999998E-02   3.288900     -0.1680000    
 N    2.313400     -0.7005000     -4.6500001E-02
 N   0.5023000      0.7419000      0.7124000    
 C    1.482700     -0.2907000       1.083400    
 C  -0.7597000      0.6531000       1.456600    
 C    3.191800      0.4052000     -0.4062000    
 C    3.108900      -1.877000      0.3122000    
 C   0.8284000       1.873000     -6.0699999E-02
 C   -1.822500      1.1000000E-03  0.6164000    
 C    3.946600      -2.309100     -0.8741000    
 C   -2.634500      0.7861000     -0.1922000    
 C   -1.979900      -1.378100      0.6589000    
 C   -3.620800      0.1813000     -0.9714000    
 C   -2.966000      -1.983000     -0.1204000    
 C   -3.786500      -1.203200     -0.9355000    
 H    2.073200      9.4999999E-02   1.924900    
 H   0.9283000      -1.165800       1.440800    
 H   -1.096000       1.640600       1.788700    
 H  -0.6039000      9.0400003E-02   2.386500    
 H    3.803500      0.7382000      0.4415000    
 H    3.877500      0.1483000      -1.216300    
 H    3.752800      -1.693300       1.181400    
 H    2.435200      -2.703300      0.5704000    
 H    3.368500      -2.324500      -1.804700    
 H    4.836100      -1.687200      -1.014100    
 H    4.311800      -3.329100     -0.7065000    
 H   -2.564400       1.865700     -0.2086000    
 H   -1.351100      -1.997000       1.292200    
 H   -4.267100      0.7890000      -1.598000    
 H   -3.096200      -3.060900     -9.1399997E-02
 H   -4.556200      -1.673800      -1.540200    


%chk=000099602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099602

0 1
S 3.258181 1.775291 -0.231176
S 0.647678 3.125999 -0.798042
N 2.678841 -0.774716 0.922700
N 0.816781 0.903271 0.806087
C 1.510949 -0.215135 1.562706
C -0.638687 1.018205 1.129992
C 3.759659 0.157015 0.812857
C 2.505174 -1.814811 -0.126409
C 1.441581 1.844392 0.024371
C -1.491142 -0.036657 0.437796
C 2.043887 -1.337494 -1.524460
C -1.642588 -0.014453 -0.974493
C -2.155785 -1.040425 1.185550
C -2.443678 -0.980208 -1.620415
C -2.958624 -2.009384 0.538583
C -3.103092 -1.981754 -0.866842
H 1.795856 0.185333 2.558132
H 0.751942 -1.003358 1.700426
H -0.945232 2.034686 0.825875
H -0.741348 0.934598 2.230247
H 4.065315 0.546215 1.796355
H 4.617720 -0.265385 0.269890
H 3.474891 -2.341234 -0.214721
H 1.780774 -2.549942 0.272396
H 1.047349 -0.867357 -1.483999
H 2.749432 -0.609467 -1.959609
H 1.982011 -2.208656 -2.203147
H -1.140013 0.771597 -1.551076
H -2.058316 -1.057002 2.279177
H -2.560258 -0.949732 -2.709591
H -3.470723 -2.778138 1.128202
H -3.726635 -2.728795 -1.370662


