%chk=000067003.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067003

0 1
 S    1.533500     -0.9663000     -0.2891000    
 O    2.037200     -0.5263000      -1.584300    
 O    1.619700      -2.376700      6.9499999E-02
 N    2.266200     -3.5100002E-02  0.9443000    
 N   -4.144000      0.7426000      0.1623000    
 N    2.883900       2.318800      0.3694000    
 C  -0.1336000     -0.4645000     -0.1568000    
 C   -1.004100      -1.152800      0.6884000    
 C  -0.5952000      0.6245000     -0.8963000    
 C   -2.797500      0.3366000      5.4699998E-02
 C   -2.336000     -0.7523000      0.7941000    
 C   -1.927200       1.025100     -0.7905000    
 C    2.597000       1.226400      0.6343000    
 H  -0.6643000      -1.999400       1.278500    
 H   6.5399997E-02   1.178800      -1.557100    
 H   -3.004100      -1.295700       1.457500    
 H   -2.274600       1.876100      -1.370700    
 H    2.566400     -0.5094000       1.804600    
 H   -4.776000      0.2430000      0.7737000    
 H   -4.479400       1.531100     -0.3749000    


%chk=000067003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067003

0 1
S 1.526693 -1.032233 -0.383453
O 2.112712 -0.528513 -1.808876
O 1.717493 -2.552886 0.149255
N 2.419857 -0.047547 1.087328
N -4.192916 0.788944 0.163999
N 2.708209 2.469481 0.858832
C -0.222769 -0.469808 -0.209733
C -1.043628 -1.113083 0.737586
C -0.674446 0.578141 -1.036254
C -2.878010 0.371829 0.039641
C -2.376050 -0.691840 0.855625
C -2.007737 0.995207 -0.909047
C 2.624430 1.270702 0.962253
H -0.651127 -1.930088 1.350916
H -0.001891 1.041469 -1.764942
H -3.037080 -1.180563 1.579917
H -2.383386 1.807297 -1.541028
H 3.169091 -0.655731 1.447903
H -4.819244 0.355279 0.837007
H -4.556902 1.548443 -0.405328


