%chk=000118982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118982

0 1
 S   0.2392000       1.193800       1.710200    
 O   -1.398900       2.345200     -0.4638000    
 N   -1.141400      0.5155000      0.9499000    
 C   -2.393000      -1.964800     -0.6658000    
 C   -1.348900      -1.907600      0.4475000    
 C   -2.465600     -0.7094000      -1.531700    
 C   -1.594000     -0.7836000       1.450800    
 C   -2.909100      0.5327000     -0.7665000    
 C   -1.746600       1.224800     -8.1400000E-02
 C    1.482700      0.4834000      0.6540000    
 C    1.901900       1.164100     -0.4909000    
 C    2.042900     -0.7567000      0.9678000    
 C    2.877100      0.6073000      -1.318200    
 C    3.018200      -1.313300      0.1405000    
 C    3.435500     -0.6314000      -1.002500    
 H   -3.380000      -2.165600     -0.2307000    
 H   -2.162100      -2.820400      -1.312400    
 H   -1.386000      -2.863200      0.9850000    
 H  -0.3521000      -1.834300      3.1000001E-03
 H   -3.191900     -0.8988000      -2.331800    
 H   -1.496900     -0.5379000      -2.016900    
 H   -2.659200     -0.7103000       1.697600    
 H   -1.072700      -1.018800       2.386900    
 H   -3.702400      0.3159000     -4.4000000E-02
 H   -3.330200       1.251000      -1.481500    
 H    1.482100       2.132000     -0.7533000    
 H    1.732100      -1.303400       1.854900    
 H    3.202400       1.138400      -2.208100    
 H    3.452800      -2.277900      0.3863000    
 H    4.194800      -1.064800      -1.646600    


%chk=000118982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118982

0 1
S 0.332039 1.013191 1.789262
O -1.093238 2.183613 -0.580548
N -1.171375 0.409763 0.945222
C -2.749744 -1.988613 -0.690377
C -1.671877 -2.031398 0.417713
C -2.735651 -0.717009 -1.570271
C -1.761950 -0.865580 1.431026
C -2.950339 0.608662 -0.785778
C -1.668684 1.147862 -0.131133
C 1.678141 0.402450 0.670484
C 1.931612 1.071985 -0.551591
C 2.479492 -0.689443 1.080425
C 2.995330 0.630909 -1.371204
C 3.550340 -1.114623 0.258967
C 3.805748 -0.457717 -0.967499
H -3.749324 -2.077564 -0.214357
H -2.633935 -2.877298 -1.341582
H -1.785888 -2.979835 0.980098
H -0.656398 -2.038488 -0.023440
H -3.544129 -0.804112 -2.321811
H -1.785879 -0.652944 -2.136931
H -2.819384 -0.698063 1.722446
H -1.209457 -1.124610 2.348804
H -3.752450 0.469917 -0.034085
H -3.271259 1.405910 -1.476366
H 1.292013 1.911642 -0.841096
H 2.270735 -1.193780 2.030045
H 3.194728 1.142911 -2.319022
H 4.177967 -1.955319 0.575019
H 4.633518 -0.790518 -1.604017


