%chk=000071057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071057

0 1
 S   -6.350400       1.715200       1.317600    
 S    6.351600       1.713400      -1.318000    
 N   -3.648800     -0.5859000      3.0999999E-02
 N    3.648800     -0.5860000     -3.0800000E-02
 C   -1.480900      -1.730100     -0.1241000    
 C    1.480800      -1.730100      0.1238000    
 C  -0.7099000     -0.4671000      0.2803000    
 C  -0.7100000      -2.992400      0.2823000    
 C   0.7102000     -0.4677000     -0.2830000    
 C   0.7100000      -2.992800     -0.2812000    
 C   -2.878200      -1.730000      0.4929000    
 C    2.878700      -1.730600     -0.4919000    
 C   -4.979100     -0.5772000      0.6258000    
 C    4.979700     -0.5780000     -0.6243000    
 C   -5.773000      0.6125000      0.1594000    
 C    5.773000      0.6124000     -0.1588000    
 C   -6.107000      0.9404000      -1.119800    
 C    6.105800      0.9421000       1.120300    
 C   -6.867800       2.144300      -1.161900    
 C    6.866600       2.146000       1.161500    
 C   -7.073200       2.670800      9.4300002E-02
 C    7.073200       2.670800     -9.5299996E-02
 H   -1.580100      -1.737000      -1.219000    
 H    1.579100      -1.735400       1.218800    
 H  -0.6626000     -0.3907000       1.374300    
 H   -1.221200      0.4335000     -7.9000004E-02
 H   -1.238400      -3.884700     -7.4100003E-02
 H  -0.6635000      -3.066800       1.376300    
 H   0.6630000     -0.3934000      -1.377200    
 H    1.221500      0.4335000      7.4699998E-02
 H    1.238500      -3.884600      7.6200001E-02
 H   0.6637000      -3.068500      -1.375200    
 H   -3.393000      -2.659300      0.2183000    
 H   -2.794900      -1.712100       1.587000    
 H    2.796400      -1.714200      -1.586200    
 H    3.393200      -2.659700     -0.2156000    
 H   -3.723000     -0.6195000     -0.9857000    
 H    3.722000     -0.6183000      0.9860000    
 H   -5.527400      -1.485100      0.3421000    
 H   -4.896200     -0.5798000       1.719900    
 H    5.527800      -1.485500     -0.3389000    
 H    4.897700     -0.5821000      -1.718500    
 H   -5.833300      0.3610000      -1.992200    
 H    5.831300      0.3638000       1.993200    
 H   -7.245900       2.600700      -2.067600    
 H    7.243700       2.603600       2.066800    
 H   -7.613400       3.570800      0.3522000    
 H    7.613500       3.570500     -0.3539000    


%chk=000071057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071057

0 1
S -4.955310 2.217797 -0.253433
S 4.955094 2.218217 0.251854
N -3.752926 -0.687603 -0.117012
N 3.752932 -0.687430 0.117338
C -1.499700 -1.769757 -0.133939
C 1.499746 -1.769659 0.134973
C -0.717224 -0.501656 0.287614
C -0.721692 -3.044319 0.279446
C 0.717235 -0.501790 -0.287219
C 0.721757 -3.044458 -0.277719
C -2.934803 -1.787215 0.437337
C 2.934828 -1.787383 -0.436356
C -5.109127 -0.563126 0.454309
C 5.109063 -0.563127 -0.454188
C -5.834144 0.641955 -0.082682
C 5.834011 0.642315 0.082080
C -7.164701 0.778222 -0.449581
C 7.164598 0.778917 0.448746
C -7.527226 2.115128 -0.863620
C 7.527018 2.116063 0.862097
C -6.468370 3.006242 -0.817709
C 6.468014 3.006993 0.816043
H -1.573719 -1.768864 -1.246439
H 1.573807 -1.768180 1.247468
H -0.668562 -0.468272 1.397561
H -1.273533 0.398643 -0.031047
H -1.260101 -3.949384 -0.067459
H -0.684899 -3.098839 1.388575
H 0.668562 -0.468975 -1.397182
H 1.273529 0.398682 0.030975
H 1.260182 -3.949324 0.069681
H 0.684967 -3.099586 -1.386819
H -3.390196 -2.794919 0.254242
H -2.890233 -1.655291 1.538366
H 2.890197 -1.656074 -1.537456
H 3.390265 -2.794968 -0.252721
H -3.773477 -0.702375 -1.146411
H 3.773585 -0.701657 1.146742
H -5.759894 -1.457157 0.277255
H -4.991151 -0.480841 1.554908
H 5.759937 -1.457000 -0.276727
H 4.990967 -0.481431 -1.554817
H -7.870784 -0.056553 -0.424906
H 7.870767 -0.055796 0.424424
H -8.532165 2.395481 -1.188975
H 8.531953 2.396679 1.187236
H -6.446849 4.060764 -1.087791
H 6.446371 4.061611 1.085736


