%chk=000100682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100682

0 1
 S    1.304400      -2.332300      0.9839000    
 S    3.257800      -2.031900      0.4172000    
 O   -1.550500     -0.7488000     -0.7288000    
 O  -0.3954000       1.313400      0.9022000    
 O   -4.227600      8.8100001E-02  -1.346900    
 O   -2.281600      -1.761700       1.214300    
 N   -2.200700      0.4113000     -0.2534000    
 N    2.946000      0.5444000       1.073900    
 C   -2.564500       2.386700      0.8583000    
 C   -3.836800       1.979800      0.1116000    
 C   -1.555800       1.322000      0.5214000    
 C   -3.478600      0.7072000     -0.6071000    
 C  -0.9678000      -2.996800     -0.4188000    
 C   -1.683600      -1.789600      0.1471000    
 C   0.5216000      -2.730200     -0.6044000    
 C    3.271800     -0.2850000      5.7100002E-02
 C    3.605300      0.1449000      -1.217500    
 C    3.604600       1.513400      -1.464000    
 C    3.275100       2.397800     -0.4429000    
 C    2.956200       1.867500      0.7968000    
 H   -2.729100       2.412300       1.939400    
 H   -2.201000       3.361600      0.5210000    
 H   -4.133200       2.744000     -0.6127000    
 H   -4.662200       1.794100      0.8050000    
 H   -1.436300      -3.256200      -1.375000    
 H   -1.132800      -3.846300      0.2548000    
 H   0.6795000      -1.900600      -1.301600    
 H   0.9944000      -3.625400      -1.021600    
 H    3.860700     -0.5481000      -2.012600    
 H    3.859700       1.890000      -2.449900    
 H    3.267200       3.468400     -0.6124000    
 H    2.690600       2.514700       1.626100    


%chk=000100682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100682

0 1
S 1.541833 -2.846419 0.633205
S 3.572744 -2.430480 -0.270920
O -2.066169 -0.618047 -0.785864
O -0.827177 2.000564 -0.425501
O -4.734858 -0.533282 0.307130
O -1.636388 -1.390821 1.413742
N -2.663881 0.517316 -0.172390
N 2.379839 0.047170 -0.563235
C -2.991184 2.701579 0.628589
C -4.273286 1.866314 0.892586
C -1.989411 1.757763 -0.046622
C -3.994527 0.467566 0.336652
C -1.020182 -2.771840 -0.572960
C -1.566897 -1.592194 0.201091
C 0.479057 -2.620735 -0.931473
C 3.562084 -0.580891 -0.369222
C 4.806096 0.092059 -0.282437
C 4.801148 1.497798 -0.422695
C 3.571009 2.171560 -0.612996
C 2.381531 1.409849 -0.665911
H -2.534304 3.090767 1.553951
H -3.168724 3.563787 -0.036591
H -5.168061 2.277049 0.395276
H -4.508843 1.773588 1.966307
H -1.587860 -2.868979 -1.514564
H -1.188368 -3.681378 0.031028
H 0.713612 -1.619431 -1.322552
H 0.768842 -3.402051 -1.650820
H 5.732260 -0.459454 -0.095510
H 5.741674 2.055730 -0.363064
H 3.528177 3.260509 -0.709230
H 1.397615 1.873733 -0.784498


