%chk=000070589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070589

0 1
 S   0.1242000      -4.480500       1.421000    
 O  -0.4171000      -1.953800       1.414000    
 N    1.058900      -2.565500     -0.4050000    
 C    2.649400      0.6738000      0.4371000    
 C    1.645600      -1.308300     -0.5542000    
 C    2.824600       1.223300     -0.8552000    
 C    2.058500     -0.5933000      0.5704000    
 C    1.817700     -0.7678000      -1.825000    
 C    2.403400      0.4895000      -1.976200    
 C   -2.591600      0.8835000      0.5702000    
 C   -3.344500      0.3249000     -0.4899000    
 C    3.071000       1.407200       1.558100    
 C    3.415600       2.490300     -0.9886000    
 C   -1.411800      -1.179200      0.7665000    
 C   -1.608900      0.1028000       1.200600    
 C   -3.092700     -0.9981000     -0.8882000    
 C   0.2893000      -2.958400      0.7377000    
 C   -2.112800      -1.759300     -0.2503000    
 C    1.294100      -3.599600      -1.454300    
 C   -2.842900       2.206600      0.9684000    
 C    3.656100       2.664700       1.407100    
 C    3.828000       3.205200      0.1364000    
 C   -4.327100       1.105700      -1.120200    
 C   -3.823100       2.967800      0.3309000    
 C   -4.563800       2.418400     -0.7112000    
 H    1.957000      -1.018700       1.567000    
 H    1.495000      -1.287900      -2.722100    
 H    2.525100      0.8942000      -2.978900    
 H    2.946100       1.004900       2.561300    
 H    3.559800       2.932300      -1.972200    
 H   -1.015700      0.5072000       2.016400    
 H   -3.661400      -1.448800      -1.699000    
 H   -1.955700      -2.781100     -0.5762000    
 H    1.014900      -4.604600      -1.137600    
 H    2.355300      -3.604400      -1.723300    
 H   0.6830000      -3.351000      -2.327700    
 H   -2.275600       2.656500       1.780600    
 H    3.977400       3.221800       2.282400    
 H   -4.917900      0.6969000      -1.937200    
 H    4.283500       4.184300      1.9500000E-02
 H   -4.007700       3.990000      0.6487000    
 H   -5.326700       3.011600      -1.207100    


%chk=000070589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070589

0 1
S -1.194862 -3.515815 0.005671
O -0.424289 -0.875448 -0.206506
N 1.274195 -2.397344 -0.400047
C 3.289080 0.772985 0.161140
C 2.209903 -1.304127 -0.585681
C 4.153643 0.745840 -1.001872
C 2.330080 -0.272756 0.348991
C 3.059901 -1.330572 -1.741775
C 4.009627 -0.329680 -1.938892
C -3.569987 0.921362 0.681066
C -4.410925 0.586513 -0.451626
C 3.429045 1.846170 1.103748
C 5.119878 1.789801 -1.178506
C -1.791361 -0.461127 -0.260334
C -2.246242 0.375054 0.752046
C -3.888995 -0.276492 -1.472922
C -0.084283 -2.239355 -0.211981
C -2.598795 -0.796478 -1.389304
C 1.811160 -3.780011 -0.436368
C -4.088217 1.787965 1.699377
C 4.380809 2.848885 0.906595
C 5.233359 2.821806 -0.243938
C -5.735022 1.131414 -0.519192
C -5.383715 2.302791 1.606225
C -6.214453 1.972529 0.488118
H 1.681436 -0.255660 1.229890
H 2.941742 -2.136147 -2.474477
H 4.652275 -0.352164 -2.826747
H 2.775616 1.868347 1.983898
H 5.770612 1.767219 -2.060821
H -1.593106 0.612048 1.598001
H -4.522628 -0.525865 -2.331799
H -2.198468 -1.454822 -2.164655
H 1.493322 -4.326075 0.468157
H 2.909671 -3.727083 -0.473214
H 1.424743 -4.332559 -1.311248
H -3.452408 2.040146 2.556409
H 4.479196 3.664069 1.631722
H -6.369756 0.876517 -1.376353
H 5.974011 3.616205 -0.386585
H -5.770849 2.962288 2.390709
H -7.228446 2.382728 0.427779


