%chk=000011741.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011741

0 1
 S  -4.8000002E-03  2.2299999E-02  -1.552900    
 O   0.2640000      -1.198400      -2.293600    
 O  -0.1634000       1.298200      -2.231600    
 N   -4.072900       1.640600       1.163900    
 N    4.050300      -1.681700       1.130700    
 C   -1.384400     -0.2706000     -0.5238000    
 C    1.408100      0.2894000     -0.4794000    
 C   -2.173200      0.7963000     -9.3500003E-02
 C    2.156600     -0.7979000     -0.1084000    
 C   -1.697300      -1.572000     -0.1313000    
 C    1.680700       1.570500     -7.3299997E-02
 C   -3.274700      0.5619000      0.7294000    
 C    3.254200     -0.5897000      0.7268000    
 C   -2.798900      -1.806600      0.6916000    
 C    2.778400       1.778700      0.7618000    
 C   -3.587700     -0.7396000       1.121900    
 C    3.565100      0.6986000       1.161900    
 H   -1.933900       1.814700     -0.3897000    
 H    1.912700      -1.802900     -0.4385000    
 H   -1.093400      -2.417700     -0.4481000    
 H    1.074700       2.421800     -0.3637000    
 H   -3.041600      -2.819700      0.9986000    
 H    3.019000       2.781400       1.102900    
 H   -4.443300     -0.9353000       1.763100    
 H    4.417400      0.8738000       1.813300    
 H   -4.870500       1.471200       1.762000    
 H   -3.845600       2.584700      0.8814000    
 H    4.845400      -1.531300       1.737300    
 H    3.824700      -2.616200      0.8168000    


%chk=000011741-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011741

0 1
S 0.002221 0.028120 -1.571971
O 0.289056 -1.369993 -2.379373
O -0.279501 1.454766 -2.329706
N -4.271525 1.679099 1.018888
N 4.254617 -1.716975 0.992585
C -1.484591 -0.281206 -0.429706
C 1.481171 0.295882 -0.409118
C -2.291640 0.821773 -0.136218
C 2.284451 -0.817753 -0.147262
C -1.720478 -1.592068 0.010848
C 1.715551 1.590667 0.077302
C -3.431140 0.616445 0.696484
C 3.418092 -0.642676 0.700223
C -2.853398 -1.779270 0.839601
C 2.842612 1.747771 0.920147
C -3.691079 -0.700165 1.184599
C 3.676191 0.656222 1.234654
H -2.058484 1.800753 -0.571369
H 2.053118 -1.781044 -0.617062
H -1.076938 -2.418657 -0.302178
H 1.075460 2.428407 -0.212306
H -3.088184 -2.781426 1.214489
H 3.076093 2.736312 1.330354
H -4.564282 -0.872851 1.825492
H 4.544902 0.805648 1.887401
H -5.099548 1.534041 1.588922
H -4.097805 2.610470 0.652606
H 5.078773 -1.592481 1.572987
H 4.081984 -2.635310 0.594287


