%chk=000178680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178680

0 1
 S  -0.5805000       3.347500      0.1251000    
 S    1.876200       1.429300     -3.9999999E-02
 S   -3.587500       3.347100      0.3845000    
 O  -2.8700000E-02 -0.4700000     -0.1056000    
 N   -1.927800       1.092100      4.9400002E-02
 N    2.166500      -1.224400     -0.2541000    
 C  -0.5688000      0.8091000      2.9200001E-02
 C   -2.945300      8.6099997E-02 -4.3000001E-03
 C   0.2413000       1.861900      6.3800000E-02
 C   -2.168800       2.490700      0.1507000    
 C   -2.702700      -1.180000      0.5284000    
 C   -4.178900      0.3720000     -0.5892000    
 C   -4.927300      -1.874300     -0.1087000    
 C    1.333000     -0.2476000     -0.1443000    
 C   -3.693800      -2.160300      0.4761000    
 C   -5.169900     -0.6082000     -0.6414000    
 C    3.526300     -0.8681000     -0.2824000    
 C    4.260300     -0.7811000      0.8970000    
 C   -5.987200      -2.922300     -0.1646000    
 C    4.129400     -0.6032000      -1.508800    
 C    5.608500     -0.4262000      0.8498000    
 C    3.630900      -1.061600       2.222300    
 C    5.477600     -0.2484000      -1.556000    
 C    6.217100     -0.1599000     -0.3767000    
 H   -1.786700      -1.434200       1.050500    
 H   -4.387000       1.293700      -1.118000    
 H   -3.499000      -3.138300      0.9084000    
 H   -6.119200     -0.3813000      -1.119600    
 H   -6.617300      -2.799700      -1.052100    
 H   -5.549500      -3.924900     -0.2191000    
 H   -6.620300      -2.864100      0.7263000    
 H    3.562800     -0.6717000      -2.433800    
 H    6.198100     -0.3509000       1.759600    
 H    2.987800     -0.2307000       2.527500    
 H    3.038700      -1.982300       2.188400    
 H    4.386200      -1.203400       3.003300    
 H    5.951600     -4.1400000E-02  -2.511100    
 H    7.266700      0.1169000     -0.4136000    


%chk=000178680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178680

0 1
S -1.328810 4.029613 -0.515861
S 1.620386 2.460942 -0.379758
S -4.366160 3.328357 -0.436495
O -0.094882 0.306932 -0.098884
N -2.232052 1.527816 -0.227800
N 2.134836 -0.388161 -0.001204
C -0.832752 1.490228 -0.170967
C -3.047435 0.334241 -0.078682
C -0.169386 2.672507 -0.303320
C -2.761041 2.825942 -0.393279
C -2.834611 -0.518720 1.026508
C -4.032827 0.029416 -1.042445
C -4.619187 -2.011511 0.212392
C 1.317042 0.566083 -0.150099
C -3.615330 -1.685361 1.160114
C -4.809484 -1.136469 -0.889052
C 3.543730 -0.430651 -0.087425
C 4.217514 -1.423364 0.691436
C -5.482396 -3.248204 0.383245
C 4.277141 0.429109 -0.951723
C 5.626225 -1.501776 0.592098
C 3.433957 -2.344806 1.602876
C 5.680203 0.322728 -1.035597
C 6.360040 -0.641247 -0.257140
H -2.065665 -0.279359 1.767579
H -4.189306 0.695311 -1.895040
H -3.443911 -2.348742 2.015523
H -5.573161 -1.372444 -1.639058
H -5.785816 -3.668655 -0.591538
H -4.955460 -4.036844 0.947920
H -6.409343 -3.008174 0.939494
H 3.748484 1.152099 -1.583657
H 6.154725 -2.254992 1.188022
H 2.985392 -1.786962 2.446179
H 2.594982 -2.815188 1.060005
H 4.080769 -3.135365 2.019697
H 6.236232 0.982816 -1.709911
H 7.450157 -0.729244 -0.317252


