%chk=000005336.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005336

0 1
 S   9.8399997E-02   2.144000     -0.1214000    
 O  -0.4882000       3.272300      0.5921000    
 O   0.5709000       2.344800      -1.485800    
 N    1.376000       1.507100      0.8433000    
 N    2.564300      0.1383000     -0.6665000    
 N   -3.885300      -2.270500     -0.1165000    
 C   -1.071200      0.8476000     -0.1200000    
 C   -2.052900      0.7952000      0.8696000    
 C   -1.023900     -0.1357000      -1.108300    
 C    1.899500      0.2115000      0.5032000    
 C   -2.940000      -1.223700     -0.1170000    
 C   -2.987200     -0.2405000      0.8710000    
 C   -1.958300      -1.171300      -1.106700    
 C    1.699600     -0.8496000       1.363700    
 C    2.223100      -2.083700      0.9948000    
 C    2.916800      -2.208300     -0.2038000    
 C    3.058500      -1.077300     -0.9916000    
 H    1.279300       1.668800       1.854700    
 H   -2.104300       1.545500       1.653400    
 H  -0.2685000     -0.1158000      -1.888600    
 H   -3.746300     -0.2713000       1.648400    
 H   -1.910800      -1.931900      -1.881900    
 H    1.154800     -0.7397000       2.294900    
 H    2.089700      -2.947200       1.639700    
 H   -4.596200      -2.310200      0.6017000    
 H   -3.850200      -2.984600     -0.8317000    
 H    3.332800      -3.160600     -0.5118000    
 H    3.590300      -1.121600      -1.936300    


%chk=000005336-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005336

0 1
S -0.007096 1.735603 0.218786
O -0.484936 2.908589 1.246220
O 0.728595 2.104338 -1.177563
N 1.144353 0.790723 1.364471
N 1.725614 -0.840147 -0.236357
N -4.789898 -1.801775 -0.843536
C -1.446935 0.603058 -0.091108
C -2.567733 0.733171 0.748733
C -1.395157 -0.294351 -1.172017
C 2.065172 -0.151377 0.896093
C -3.680648 -1.003349 -0.592471
C -3.688043 -0.075814 0.494502
C -2.519948 -1.096918 -1.422053
C 3.269756 -0.405971 1.619310
C 4.122231 -1.425374 1.158316
C 3.781630 -2.146891 -0.012773
C 2.580975 -1.806714 -0.672522
H 1.408661 1.425170 2.129980
H -2.562931 1.464866 1.562753
H -0.489956 -0.364181 -1.781092
H -4.575189 0.009652 1.132335
H -2.506102 -1.804279 -2.259084
H 3.518468 0.177760 2.511644
H 5.049294 -1.645349 1.698517
H -5.620729 -1.739674 -0.262083
H -4.795626 -2.458153 -1.619032
H 4.426966 -2.936786 -0.406631
H 2.279910 -2.324227 -1.590735


