%chk=000107613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107613

0 1
 Cl  -4.136400       3.789700       1.337600    
 S   -2.602700      -1.592400      -1.574800    
 N    4.126700      0.8810000     -0.2430000    
 C    2.750800       1.360200     -0.3130000    
 C    1.805100      0.3522000      0.3391000    
 C  -0.6785000      2.0500001E-02  0.2471000    
 C   0.3914000      0.8377000      0.2940000    
 C    4.536500      0.6938000       1.149700    
 C    5.031700       1.812900     -0.9179000    
 C   -2.032400      0.6109000      6.9200002E-02
 C  -0.4641000      -1.451600      0.2389000    
 C   -2.977000     -5.8300000E-02 -0.7319000    
 C   -1.298500      -2.265900     -0.5502000    
 C    5.944600      0.1335000       1.209100    
 C    4.603800       2.004000      -2.360300    
 C   -2.415800       1.798100      0.7178000    
 C   0.5199000      -2.063100       1.035600    
 C   -4.259300      0.4847000     -0.9034000    
 C   -1.110900      -3.656200     -0.5625000    
 C   -3.696300       2.326200      0.5460000    
 C   0.6939000      -3.447900       1.021300    
 C   -4.615200       1.673000     -0.2679000    
 C  -0.1174000      -4.243000      0.2194000    
 H    2.412300       1.463500      -1.349800    
 H    2.651400       2.345300      0.1634000    
 H    1.964100     -0.5914000     -0.1892000    
 H    2.040000      0.2666000       1.402000    
 H   0.2606000       1.917300      0.2706000    
 H    4.472700       1.621500       1.731500    
 H    3.928100     -6.1999999E-02   1.652500    
 H    5.078200       2.784900     -0.4111000    
 H    6.048200       1.409000     -0.9606000    
 H    6.077500     -0.7152000      0.5291000    
 H    6.707200      0.8880000      0.9923000    
 H    6.151700     -0.2294000       2.222600    
 H    4.389800       1.051100      -2.856800    
 H    3.736900       2.664900      -2.459100    
 H    5.416300       2.482200      -2.919800    
 H   -1.718200       2.315200       1.374100    
 H    1.102800      -1.518300       1.769700    
 H   -4.997300     -1.3000000E-02  -1.528800    
 H   -1.739600      -4.299300      -1.174500    
 H    1.445700      -3.906900       1.656900    
 H   -5.615100       2.073400     -0.4137000    
 H   1.4600000E-02  -5.320900      0.2112000    


%chk=000107613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107613

0 1
Cl -4.159884 3.523827 2.093305
S -2.546892 -1.248889 -1.931766
N 4.199731 1.188025 -0.070576
C 2.750676 1.496823 -0.129869
C 1.888880 0.406186 0.559607
C -0.657528 -0.054041 0.290281
C 0.420691 0.761992 0.533585
C 4.811428 1.551571 1.236808
C 4.958473 1.724912 -1.233252
C -2.027597 0.539786 0.209671
C -0.556804 -1.527415 0.077674
C -2.972837 0.085135 -0.751337
C -1.357701 -2.188179 -0.895468
C 6.063389 0.716833 1.568913
C 4.738211 0.910310 -2.522178
C -2.422626 1.586750 1.087787
C 0.315000 -2.333377 0.862679
C -4.249773 0.680714 -0.862990
C -1.251454 -3.578839 -1.120940
C -3.690568 2.174080 0.956046
C 0.430027 -3.721427 0.646294
C -4.618459 1.744936 -0.013183
C -0.344409 -4.346017 -0.359005
H 2.445765 1.556938 -1.190040
H 2.519821 2.495271 0.323828
H 2.084006 -0.561695 0.065697
H 2.236509 0.293273 1.609597
H 0.208578 1.835653 0.658272
H 5.060282 2.643031 1.279211
H 4.055657 1.376953 2.025508
H 4.713767 2.802262 -1.418051
H 6.032987 1.689564 -0.977350
H 5.809178 -0.357240 1.582884
H 6.867235 0.864971 0.825303
H 6.467236 1.001300 2.558660
H 5.038226 -0.139872 -2.362585
H 3.679842 0.915790 -2.840179
H 5.337946 1.329972 -3.351592
H -1.738852 1.921717 1.872749
H 0.890658 -1.860346 1.663858
H -4.962405 0.311032 -1.607270
H -1.884751 -4.058162 -1.874878
H 1.113566 -4.314104 1.263323
H -5.604463 2.210557 -0.092544
H -0.262961 -5.424059 -0.534085


