%chk=000003998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003998

0 1
 S    2.510200     -3.9999999E-04 -0.2001000    
 O    2.906400      -1.260900     -0.8124000    
 O    2.910300       1.258600     -0.8129000    
 N    3.012500      7.9999998E-04   1.433100    
 N   -4.179900     -1.0000000E-03 -0.8487000    
 C   0.7742000      1.9999999E-04 -1.4300000E-02
 C   -1.999800      6.0000003E-04  0.2817000    
 C   8.0700003E-02   1.208200      5.8800001E-02
 C   8.0700003E-02  -1.207600      6.0500000E-02
 C   -1.306300       1.208500      0.2070000    
 C   -1.306300      -1.207500      0.2085000    
 C   -3.482800      6.0000003E-04  0.4387000    
 H   0.6012000       2.160500      8.7000001E-03
 H   0.6009000      -2.160200      1.1800000E-02
 H   -1.834900       2.156400      0.2626000    
 H   -1.835100      -2.155400      0.2654000    
 H   -3.803600     -0.8725000       1.019300    
 H   -3.803800      0.8749000       1.017300    
 H    3.434100     -0.8599000       1.802800    
 H    3.434700      0.8619000       1.801400    
 H   -3.903300     -0.8186000      -1.390700    
 H   -3.903500      0.8155000      -1.392600    


%chk=000003998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003998

0 1
S 2.589651 -0.000373 -0.155836
O 3.021286 -1.437637 -0.794486
O 3.021648 1.435816 -0.796650
N 3.212315 0.000871 1.574971
N -4.272159 -0.000610 -0.926901
C 0.722802 -0.000014 0.048057
C -2.061451 0.000453 0.315713
C 0.062855 1.237712 0.108226
C 0.062601 -1.237527 0.109932
C -1.342231 1.223152 0.246223
C -1.342477 -1.222488 0.247912
C -3.593300 0.000654 0.388923
H 0.627300 2.172723 0.033062
H 0.626867 -2.172747 0.036055
H -1.885232 2.174529 0.301912
H -1.885668 -2.173678 0.304915
H -3.941557 -0.886172 0.949644
H -3.941392 0.888665 0.947870
H 3.765934 -0.861216 1.715412
H 3.766019 0.863119 1.714088
H -4.113852 -0.848926 -1.480642
H -4.113360 0.846396 -1.482501


