%chk=000147577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147577

0 1
 S    1.217700      0.8591000       1.885900    
 S    3.064500      -4.799100     -0.3569000    
 O   -7.977400      -1.256300      0.7335000    
 N  -0.7242000      0.1933000     -0.5120000    
 N   -3.609100      0.3480000     -0.6207000    
 C   0.5785000     -0.2079000      -1.039500    
 C   -1.561600     -0.9817000     -0.2415000    
 C   -1.404300       1.105100      -1.440100    
 C   -2.929000     -0.5622000      0.3089000    
 C   -2.772300       1.523600     -0.8905000    
 C    1.408300      0.9892000      -1.531700    
 C    1.373800      -1.095100     -0.1041000    
 C   -4.912700      0.7484000     -9.4899997E-02
 C    1.993800       2.036900     -0.6029000    
 C    1.740200     -0.6934000       1.191300    
 C   -5.810700     -0.4721000      7.9800002E-02
 C    1.793700      -2.357100     -0.5630000    
 C    1.984400       2.055400      0.8038000    
 C    2.644200       3.101500      -1.273900    
 C    2.496100      -1.553800       2.002100    
 C    2.550600      -3.203100      0.2471000    
 C   -7.185500     -8.3400004E-02  0.6065000    
 C    2.599100       3.130400       1.482300    
 C    2.901900      -2.801100       1.530100    
 C    3.252700       4.151500     -0.5890000    
 C    3.228600       4.166200      0.7948000    
 C    4.058500      -4.342400      -1.805600    
 H   0.3823000     -0.7968000      -1.949600    
 H   -1.101600      -1.632600      0.5105000    
 H   -1.702400      -1.582300      -1.150900    
 H   -1.525100      0.6511000      -2.432700    
 H  -0.8582000       2.046100      -1.556800    
 H   -3.480600      -1.496600      0.4424000    
 H   -2.806400     -0.1002000       1.297800    
 H   -2.637000       2.124200      1.9600000E-02
 H   -3.261600       2.164200      -1.634500    
 H   0.9027000       1.494800      -2.364000    
 H    2.294000      0.5433000      -2.015800    
 H   -4.809900       1.280300      0.8600000    
 H   -5.395900       1.436800     -0.7995000    
 H   -5.921500      -1.012200     -0.8692000    
 H   -5.404200      -1.191600      0.7971000    
 H    1.515600      -2.675700      -1.566100    
 H    2.679500       3.113200      -2.362600    
 H    2.777200      -1.263700       3.012400    
 H   -7.693300      0.5953000     -8.5600004E-02
 H   -7.120600      0.4034000       1.584900    
 H    2.597200       3.174700       2.570900    
 H    3.488700      -3.444700       2.180800    
 H    3.740700       4.950900      -1.137800    
 H    3.696100       4.978900       1.342300    
 H   -7.543000      -1.836200       1.382000    
 H    4.517800      -5.242600      -2.222400    
 H    4.851300      -3.646100      -1.518600    
 H    3.433100      -3.884200      -2.576000    


%chk=000147577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147577

0 1
S 1.663181 0.723833 2.060754
S 3.407902 -5.059079 -0.307454
O -7.917557 -0.911129 0.555340
N -0.267885 0.150235 -0.611789
N -3.177370 0.328593 -0.579426
C 1.083308 -0.248698 -1.085124
C -1.110227 -0.997087 -0.192457
C -1.002403 0.981360 -1.597582
C -2.436615 -0.501675 0.403732
C -2.330088 1.472603 -1.000086
C 1.988189 0.993059 -1.388780
C 1.796612 -1.190611 -0.116694
C -4.499369 0.784132 -0.085306
C 1.852790 2.208156 -0.477572
C 2.164575 -0.814974 1.199546
C -5.513779 -0.365182 0.095726
C 2.182192 -2.471211 -0.587806
C 1.757018 2.181936 0.940098
C 1.861795 3.486292 -1.104348
C 2.882077 -1.724934 2.018077
C 2.890771 -3.383161 0.225512
C -6.930924 0.167100 0.377818
C 1.668697 3.393734 1.677512
C 3.238112 -3.001108 1.546035
C 1.778403 4.692202 -0.380504
C 1.676948 4.642767 1.028239
C 2.807632 -5.127484 -2.082758
H 0.999770 -0.809312 -2.055833
H -0.568946 -1.579329 0.572625
H -1.333547 -1.676748 -1.054733
H -1.215215 0.403830 -2.534329
H -0.394266 1.862896 -1.861760
H -3.050124 -1.378592 0.676492
H -2.213745 0.075233 1.337677
H -2.097897 2.152206 -0.140983
H -2.878257 2.057153 -1.763120
H 1.791529 1.329607 -2.423348
H 3.035964 0.633713 -1.385190
H -4.404313 1.355614 0.876791
H -4.901713 1.492684 -0.837084
H -5.527449 -0.981976 -0.821515
H -5.205738 -1.024672 0.933271
H 1.899904 -2.739734 -1.611454
H 1.938920 3.522216 -2.198761
H 3.173578 -1.423282 3.029815
H -7.310912 0.738944 -0.486077
H -6.921795 0.840871 1.263302
H 1.600767 3.351883 2.770959
H 3.794482 -3.686191 2.194982
H 1.791615 5.653203 -0.905499
H 1.610535 5.563163 1.618365
H -7.625241 -1.489227 1.305032
H 3.109685 -6.118985 -2.453710
H 3.292035 -4.345893 -2.688918
H 1.711087 -5.037344 -2.129299


