%chk=000044932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044932

0 1
 S    2.327600      0.1192000      7.9899997E-02
 O    3.304100     -0.8299000     -0.8164000    
 O    2.313000       1.447700     -0.4977000    
 O    2.618300     -0.1055000       1.481000    
 N   -1.550600     -0.6928000     -0.2150000    
 N  -0.3717000      1.7999999E-02  0.1888000    
 C   -2.708200      9.2000002E-03  0.3232000    
 C   0.7894000     -0.7001000     -0.3285000    
 C   -3.991600     -0.7193000     -5.4000001E-02
 C   -2.730400       1.453600     -0.1613000    
 H   -2.655600      1.6500000E-02   1.420700    
 H   -1.525800      -1.640300      0.1626000    
 H   0.7516000     -0.7469000      -1.423000    
 H   0.8538000      -1.715500      7.8900002E-02
 H  -0.3187000      3.5599999E-02   1.207600    
 H   -4.865200     -0.2146000      0.3726000    
 H   -4.124700     -0.7597000      -1.141000    
 H   -3.986600      -1.747700      0.3241000    
 H   -1.900000       2.046900      0.2361000    
 H   -3.651800       1.950000      0.1647000    
 H   -2.699700       1.511200      -1.255700    
 H    3.427900      -1.748700     -0.4807000    


%chk=000044932-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044932

0 1
S 2.391962 1.358911 0.306861
O 2.992341 -0.290234 -0.496588
O 2.493840 1.024800 1.891936
O 0.754975 1.236700 -0.241881
N -1.661618 -1.069617 0.019518
N -0.363988 -1.011097 -0.392561
C -2.361592 0.195224 0.367212
C 0.301250 -2.014011 -0.915842
C -3.659927 -0.175867 1.108412
C -2.620577 1.080866 -0.874744
H -1.692676 0.744062 1.056023
H -2.224547 -1.884165 -0.256095
H -0.156393 -2.999498 -1.080349
H 1.352715 -1.820610 -1.150221
H 0.278812 0.198649 -0.244037
H -4.186196 0.741163 1.422557
H -4.347651 -0.744650 0.452072
H -3.448033 -0.780124 2.007820
H -1.669388 1.342019 -1.369875
H -3.111231 2.022985 -0.570040
H -3.279111 0.566990 -1.600312
H 3.522134 -0.735595 0.227033


