%chk=000112773.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112773

0 1
 S  -0.2069000     -0.5229000      0.8678000    
 S  -0.8742000       2.312400      0.2067000    
 S   0.9374000     -0.5377000      -1.891400    
 N   -2.560600      0.1879000     -0.2896000    
 N    2.378900      0.1400000      0.3595000    
 C   -2.889800      -1.239600     -0.2747000    
 C    3.600100      0.3625000     -0.4184000    
 C   -3.555100      -1.608400       1.037400    
 C    4.409500     -0.9177000     -0.4974000    
 C   -1.331500      0.6838000      0.1931000    
 C    1.166100     -0.2614000     -0.2381000    
 C   -3.621600       1.029000     -0.8522000    
 C    2.547800      0.3722000       1.797300    
 H   -3.571000      -1.452000      -1.107600    
 H   -2.009300      -1.862500     -0.4480000    
 H    3.361500      0.7130000      -1.426200    
 H    4.184800       1.161200      5.2999999E-02
 H   -2.915000      -1.398100       1.899200    
 H   -4.488500      -1.053700       1.179500    
 H   -3.796600      -2.676000       1.049400    
 H    4.703500      -1.265100      0.4985000    
 H    3.846100      -1.725300     -0.9748000    
 H    5.321900     -0.7521000      -1.079100    
 H   -3.404400       2.095200     -0.7887000    
 H   -4.554000      0.8370000     -0.3133000    
 H   -3.750300      0.7644000      -1.906400    
 H    2.195000       1.382100       2.025300    
 H    3.601000      0.2854000       2.081700    
 H    1.987100     -0.3541000       2.389000    


%chk=000112773-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112773

0 1
S -0.219362 -1.235747 0.065578
S -0.466616 1.847518 -0.548711
S 1.829538 -1.415752 -2.224487
N -2.552108 0.111312 -0.317231
N 2.298539 -0.061757 0.107968
C -3.202092 -1.223439 -0.195289
C 3.619824 0.376999 -0.430039
C -3.603556 -1.566542 1.255069
C 4.731855 -0.655429 -0.155497
C -1.196609 0.327111 -0.292824
C 1.469509 -0.799394 -0.683704
C -3.450454 1.278095 -0.479808
C 2.003468 0.414865 1.475731
H -4.093500 -1.213392 -0.848711
H -2.512635 -1.986200 -0.595594
H 3.503772 0.530074 -1.516434
H 3.854024 1.347979 0.042850
H -2.714222 -1.622544 1.906329
H -4.292210 -0.809324 1.671441
H -4.113811 -2.546491 1.283165
H 4.855202 -0.843048 0.926657
H 4.497071 -1.608553 -0.658480
H 5.693840 -0.282121 -0.550760
H -3.169717 2.077625 0.226758
H -4.487445 0.956307 -0.290265
H -3.365745 1.693174 -1.500529
H 1.732676 1.485482 1.447175
H 2.899673 0.270668 2.105518
H 1.162992 -0.147978 1.905626


