%chk=000128490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128490

0 1
 S   -2.997800       1.468500      0.3486000    
 S    3.190800       3.168800      -1.673300    
 N    2.479200     -0.7414000      9.2699997E-02
 N   -2.437000      -1.001700     -0.1367000    
 N    2.195300       2.024100      0.6481000    
 C    2.678000      -1.897400     -0.7891000    
 C    3.332000     -0.6777000       1.288200    
 C    4.150700      -2.033300      -1.172900    
 C    4.804400     -0.8064000      0.9040000    
 C    5.052400      -2.047600      5.5399999E-02
 C    1.215300     -0.1437000      0.1695000    
 C   -4.857100     -0.5055000     -0.1222000    
 C   5.5399999E-02 -0.9244000     -3.1599998E-02
 C   -3.426500     -0.1506000      2.0999999E-03
 C   -1.229100     -0.3430000      4.1299999E-02
 C    1.060700       1.226500      0.4443000    
 C   -1.332200       1.023900      0.3172000    
 C  -0.1986000       1.826700      0.5219000    
 C   -5.050000      -2.025200     -0.4406000    
 C   -5.554300      0.2972000      -1.270300    
 C   -5.739700     -0.2426000       1.149600    
 C    2.608200       2.504900     -0.3462000    
 H    2.099600      -1.787200      -1.714800    
 H    2.342900      -2.812900     -0.2859000    
 H    3.056400      -1.504200       1.956700    
 H    3.205200      0.2364000       1.874200    
 H    4.436300      -1.193400      -1.819000    
 H    4.298300      -2.950100      -1.754400    
 H    5.420200     -0.8482000       1.809400    
 H    5.114500      8.4600002E-02  0.3438000    
 H    4.857700      -2.949000      0.6488000    
 H    6.102700      -2.083500     -0.2540000    
 H   0.1207000      -1.990400     -0.2312000    
 H  -0.3028000       2.886500      0.7375000    
 H   -6.109200      -2.282200     -0.5548000    
 H   -4.540500      -2.297100      -1.372600    
 H   -4.636400      -2.649400      0.3603000    
 H   -5.015900      0.1659000      -2.216400    
 H   -6.584800     -4.3600000E-02  -1.424100    
 H   -5.594400       1.370900      -1.055800    
 H   -6.773600     -0.5736000      0.9991000    
 H   -5.332500     -0.7793000       2.014300    
 H   -5.765800      0.8221000       1.406500    


%chk=000128490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128490

0 1
S -3.127835 1.618940 0.265476
S 4.479969 3.709719 0.184240
N 2.455566 -0.729125 0.000702
N -2.510033 -0.981058 -0.140479
N 2.148286 2.091242 0.299419
C 2.595978 -2.034308 -0.684623
C 3.407676 -0.570833 1.136811
C 4.039346 -2.215399 -1.204651
C 4.866963 -0.707366 0.659876
C 5.073675 -2.055908 -0.067475
C 1.169051 -0.148465 0.093204
C -5.016253 -0.600006 -0.143079
C -0.015440 -0.912292 -0.057448
C -3.556532 -0.194253 -0.035426
C -1.283912 -0.298943 -0.006881
C 1.028679 1.286104 0.271549
C -1.395026 1.110958 0.220114
C -0.246520 1.902976 0.361194
C -5.107307 -2.134436 -0.351673
C -5.664263 0.133158 -1.356732
C -5.766185 -0.202937 1.163561
C 3.137115 2.780926 0.240972
H 1.888284 -2.067106 -1.531483
H 2.343523 -2.879568 0.002731
H 3.194933 -1.357206 1.901475
H 3.247623 0.403307 1.622653
H 4.230180 -1.456344 -1.987540
H 4.128269 -3.212979 -1.676433
H 5.543129 -0.627142 1.532250
H 5.101443 0.131623 -0.022618
H 4.954766 -2.887051 0.659019
H 6.101238 -2.125692 -0.470355
H 0.030284 -1.995850 -0.188247
H -0.298941 2.985778 0.501372
H -6.169817 -2.430012 -0.427656
H -4.583731 -2.441143 -1.272851
H -4.645137 -2.676980 0.490443
H -5.142764 -0.121793 -2.296355
H -6.721883 -0.174461 -1.449910
H -5.633187 1.230598 -1.231461
H -6.824650 -0.512681 1.087853
H -5.319664 -0.700258 2.042822
H -5.738195 0.888667 1.333241


