%chk=000115921.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115921

0 1
 S  -0.2066000      -1.816000     -3.9999999E-04
 S    5.229000     -0.9145000      1.0000000E-03
 N   -2.878200      -1.513400     -2.0999999E-03
 N   -1.775900      0.4166000      1.8000000E-03
 N    5.961800      0.5908000     -6.9999998E-04
 N    8.097400       1.625300     -3.1999999E-03
 C    2.488000      -1.202100      3.0000000E-03
 C    1.108600     -0.5461000      2.9000000E-03
 C   -3.844300     -0.5402000     -1.5000000E-03
 C   -3.131100      0.6554000      1.0000000E-03
 C   -1.660300     -0.8925000     -1.9999999E-04
 C    3.586300     -0.1403000      1.4000000E-03
 C   -5.238300     -0.6011000     -3.0000000E-03
 C   -3.833900       1.872100      2.3000001E-03
 C   -5.921600      0.6194000     -1.9000000E-03
 C   -5.233900       1.835100      7.9999998E-04
 C    7.253100      0.5517000     -1.5000000E-03
 H    2.592500      -1.841000      0.8896000    
 H    2.592000      -1.842500     -0.8826000    
 H   0.9879000      8.2800001E-02  0.8914000    
 H   0.9892000      8.5299999E-02 -0.8841000    
 H   -3.037300      -2.512000     -3.7000000E-03
 H    3.489200      0.4961000      0.8885000    
 H    3.488200      0.4946000     -0.8865000    
 H   -5.769900      -1.546000     -5.1000002E-03
 H   -3.308800       2.821900      4.3000001E-03
 H   -7.008900      0.6207000     -3.0000000E-03
 H   -5.792800       2.767400      1.8000000E-03
 H    7.825900     -0.3941000     -1.0000000E-03
 H    9.105200       1.508900     -3.0000000E-03
 H    7.739900       2.574500     -3.4000000E-03


%chk=000115921-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115921

0 1
S -0.230243 -2.055284 -0.000181
S 5.255946 -0.954465 0.000116
N -2.990207 -1.616092 0.000347
N -1.751866 0.307375 -0.000153
N 6.124271 0.670130 0.000116
N 8.181824 1.796943 0.001050
C 2.466389 -1.281766 -0.000340
C 1.062868 -0.654926 -0.001000
C -3.927129 -0.565315 0.000391
C -3.132323 0.632335 0.000071
C -1.715927 -1.031834 -0.000052
C 3.536725 -0.174210 -0.001182
C -5.334866 -0.540692 0.000696
C -3.763234 1.895435 0.000050
C -5.947103 0.733375 0.000664
C -5.174682 1.929953 0.000349
C 7.438798 0.625007 0.001146
H 2.594120 -1.923339 0.892697
H 2.594295 -1.924865 -0.892262
H 0.867088 -0.043731 0.893595
H 0.867377 -0.045000 -0.896529
H -3.191997 -2.614113 0.000529
H 3.474446 0.462630 0.896352
H 3.474802 0.460875 -0.899983
H -5.936589 -1.455521 0.000954
H -3.165502 2.811870 -0.000184
H -7.040488 0.801286 0.000898
H -5.690153 2.896479 0.000347
H 8.054338 -0.291328 0.002026
H 9.196414 1.774116 0.002128
H 7.695008 2.691469 0.000246


