%chk=000005324.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005324

0 1
 S    1.066100      0.7725000      9.1000004E-03
 O    1.352700       1.436100       1.277200    
 O    1.306500       1.483800      -1.241400    
 N    1.844900     -0.6668000     -9.6000005E-03
 N   -4.693300     -0.7065000     -6.0000001E-03
 N    3.907900      -1.899700     -2.6699999E-02
 N    3.924200      0.3820000      2.4999999E-03
 C  -0.6251000      0.3385000      4.8000002E-03
 C   -1.301500      0.1804000      -1.204900    
 C   -1.299900      0.1497000       1.210900    
 C   -3.327400     -0.3549000     -2.6000000E-03
 C   -2.652500     -0.1662000      -1.208600    
 C   -2.651100     -0.1969000       1.207100    
 C    3.148400     -0.7522000     -1.1700000E-02
 H  -0.7953000      0.3136000      -2.156900    
 H  -0.7917000      0.2604000       2.164700    
 H   -3.168000     -0.2884000      -2.157800    
 H   -3.165600     -0.3430000       2.153500    
 H   -5.184700     -0.8194000     -0.8827000    
 H   -5.183300     -0.8419000      0.8682000    
 H    4.921400      -1.864700     -2.7400000E-02
 H    3.472400      -2.815500     -3.8300000E-02
 H    3.535600       1.317700      1.4100000E-02
 H    4.936600      0.3167000      1.9999999E-04


%chk=000005324-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005324

0 1
S 1.112839 0.858587 -0.463034
O 1.533800 1.755519 0.873499
O 1.260672 1.538138 -1.936662
N 1.973902 -0.787876 -0.421761
N -4.683741 -0.737410 0.228339
N 4.018331 -1.868197 -0.226133
N 3.847997 0.274759 0.744124
C -0.657191 0.341526 -0.241508
C -1.436987 0.128088 -1.391747
C -1.175125 0.218362 1.059425
C -3.348558 -0.378851 0.072329
C -2.785923 -0.233442 -1.232468
C -2.525058 -0.141206 1.215298
C 3.249709 -0.740807 0.033600
H -0.996176 0.264165 -2.384517
H -0.539442 0.426020 1.925899
H -3.411743 -0.403102 -2.116240
H -2.949994 -0.236780 2.221249
H -5.278830 -0.897314 -0.579258
H -5.094146 -0.832760 1.152654
H 4.747297 -2.155634 0.424765
H 3.610162 -2.566634 -0.844761
H 3.243094 1.067112 1.033779
H 4.862409 0.343037 0.790830


