%chk=000041481.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041481

0 1
 S    1.620700      -1.665100     -0.7170000    
 O   -2.393800       1.206600      -1.484000    
 O   -2.456100       1.603500      0.7413000    
 O    2.639100       1.221300       1.303200    
 O    3.027600       1.154600     -0.9351000    
 N   -2.548100      -1.084700       1.382500    
 C   -1.110500      -1.343900     -0.5896000    
 C   -2.371200     -0.7015000      5.2999998E-03
 C   0.1886000     -0.8573000      5.6600001E-02
 C   -2.393300      0.8074000     -0.1894000    
 C    2.919300     -0.9168000      0.2927000    
 C    2.877600      0.5759000      0.1335000    
 H   -1.080700      -1.128100      -1.666200    
 H   -1.187300      -2.435900     -0.4952000    
 H   -3.238900      -1.084300     -0.5478000    
 H   0.2729000      0.2257000     -6.8599999E-02
 H   0.1944000      -1.088400       1.126400    
 H   -2.570400      -2.100200       1.466100    
 H   -3.447900     -0.7512000       1.725900    
 H    3.903100      -1.275000     -2.4200000E-02
 H    2.784300      -1.200800       1.340900    
 H   -2.432600       2.183400      -1.566400    
 H    2.605800       2.194400       1.184000    


%chk=000041481-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041481

0 1
S 1.643342 -1.557004 -0.654882
O -2.416790 1.306692 -1.215181
O -2.933566 1.323961 1.047585
O 2.427661 1.495229 0.492859
O 4.435431 0.826138 -0.471567
N -2.645332 -1.405879 1.250021
C -1.130978 -1.239336 -0.754696
C -2.487313 -0.835304 -0.086412
C 0.074771 -0.769520 0.070753
C -2.634248 0.683146 0.015797
C 2.939111 -0.857276 0.545045
C 3.382297 0.525403 0.130104
H -1.095011 -0.824720 -1.778070
H -1.125385 -2.343772 -0.832632
H -3.286823 -1.155097 -0.797298
H 0.203757 0.324612 0.036058
H -0.032758 -1.104916 1.115636
H -2.988763 -2.364190 1.293765
H -3.019717 -0.768220 1.956126
H 3.796487 -1.543413 0.498311
H 2.501230 -0.851923 1.555317
H -2.541309 2.288980 -1.114279
H 2.736506 2.386010 0.172541


