%chk=000152658.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152658

0 1
 S  -0.4630000      2.8800000E-02 -0.8805000    
 O    3.886200      0.2621000       1.202300    
 O   -1.922600       1.246300      0.9496000    
 N    2.708200     -0.1235000     -0.7693000    
 C    2.063700       1.157800     -0.8722000    
 C   0.7123000       1.202500     -0.1719000    
 C    3.569500     -0.4651000      0.2644000    
 C    4.084400      -1.874200      0.1431000    
 C   -1.896800      0.3929000      7.3899999E-02
 C   -3.061600     -0.4468000     -0.3005000    
 C   -4.229600     -0.2896000      0.3370000    
 C   -5.450900      -1.091100      2.4100000E-02
 H    2.721400       1.917400     -0.4345000    
 H    1.960000       1.389600      -1.938300    
 H   0.8359000      0.9763000      0.8930000    
 H   0.3012000       2.213900     -0.2576000    
 H    2.501900     -0.8130000      -1.486300    
 H    4.928100      -2.017800      0.8238000    
 H    3.287200      -2.575900      0.4032000    
 H    4.422800      -2.069400     -0.8786000    
 H   -2.955600      -1.183000      -1.090400    
 H   -4.334700      0.4481000       1.128000    
 H   -5.773700      -1.640400      0.9138000    
 H   -5.279000      -1.814100     -0.7795000    
 H   -6.263800     -0.4262000     -0.2835000    


%chk=000152658-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152658

0 1
S -0.463684 -0.573868 1.135094
O 4.440309 0.696464 -0.026166
O -1.796654 1.548595 -0.011555
N 2.367737 -0.278967 -0.446699
C 1.596011 0.934513 -0.152129
C 0.797073 0.841191 1.159530
C 3.752457 -0.319858 -0.350700
C 4.393030 -1.667836 -0.672924
C -1.883444 0.339899 0.317971
C -3.061496 -0.534299 0.139888
C -4.214550 -0.069290 -0.424821
C -5.461268 -0.881525 -0.639514
H 2.329874 1.757130 -0.067167
H 0.909422 1.164176 -0.987285
H 1.449448 0.641696 2.023993
H 0.215110 1.765040 1.316789
H 1.850555 -1.130286 -0.673584
H 5.066292 -1.547764 -1.539457
H 5.015719 -1.982646 0.181817
H 3.661527 -2.463542 -0.897255
H -2.975131 -1.571930 0.485164
H -4.233960 0.982754 -0.746392
H -6.319436 -0.423244 -0.109883
H -5.348988 -1.921145 -0.288778
H -5.734454 -0.899658 -1.712836


