%chk=000051240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051240

0 1
 S    4.071700      -2.787100      0.3659000    
 N    1.449500       1.429600     -1.7500000E-02
 N   9.4099998E-02 -0.5293000      0.1038000    
 N    2.426400     -0.7162000      8.3300002E-02
 N   -3.708900      0.9916000       1.020700    
 N    1.488300      -2.860200      0.4202000    
 C    2.801700       1.995500     -2.3300000E-02
 C    2.762000       3.424400      0.4962000    
 C    3.286500       2.161700      -1.455400    
 C    2.293400       4.260200     -0.6924000    
 C    2.625400       3.448000      -1.944200    
 C    1.319200      0.1358000      8.5900001E-02
 C   -1.199300     -3.2299999E-02  0.3919000    
 C   -2.325000     -0.4411000     -0.3357000    
 C   -1.331400      0.8827000       1.426500    
 C   -3.577600      0.1035000      1.7200001E-02
 C   -2.597500       1.360000       1.698200    
 C    2.521200      -2.068300      0.2839000    
 C   -2.224600      -1.366000      -1.388900    
 C   -4.695600     -0.3031000     -0.7059000    
 C   -3.359200      -1.754900      -2.095200    
 C   -4.596100      -1.222600      -1.753000    
 C   -2.787700       2.345700       2.802500    
 C    3.316700      -4.307800      0.6086000    
 C    1.946700      -4.149700      0.6067000    
 H    3.503400       1.444500      0.6103000    
 H    3.771000       3.744500      0.7845000    
 H    2.107600       3.550500       1.364700    
 H    3.048900       1.311900      -2.102800    
 H    4.375700       2.292000      -1.461700    
 H    2.778700       5.241500     -0.7037000    
 H    1.212100       4.431200     -0.6367000    
 H    1.704400       3.219000      -2.492800    
 H    3.282400       3.999200      -2.624700    
 H   9.7900003E-02  -1.511300     -0.1518000    
 H    3.330500     -0.2845000     -7.6399997E-02
 H  -0.4807000       1.208600       2.016200    
 H   -1.274500      -1.797400      -1.692200    
 H   -5.676000      9.9399999E-02 -0.4576000    
 H   -3.278000      -2.468100      -2.909700    
 H   -5.486500      -1.520000      -2.299100    
 H   -3.840000       2.633500       2.896300    
 H   -2.469500       1.914300       3.756900    
 H   -2.206100       3.252400       2.607800    
 H    3.890900      -5.214400      0.7359000    
 H    1.230700      -4.949500      0.7390000    


%chk=000051240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051240

0 1
S 4.011396 -3.049083 -0.641724
N 1.577547 1.411211 0.469712
N 0.135907 -0.447359 0.018996
N 2.484625 -0.759943 -0.072630
N -3.784026 1.248843 0.421092
N 1.343469 -2.832062 -0.554496
C 2.939927 1.975699 0.591281
C 2.852009 3.354565 1.289930
C 3.541168 2.354061 -0.801715
C 2.343084 4.313200 0.179544
C 2.880345 3.720153 -1.167449
C 1.383310 0.156131 0.157404
C -1.135683 0.138694 0.162016
C -2.298465 -0.717235 -0.019740
C -1.344434 1.493078 0.464300
C -3.599824 -0.098494 0.122409
C -2.677073 2.005909 0.584891
C 2.445580 -2.101879 -0.390592
C -2.232350 -2.115056 -0.325892
C -4.775292 -0.897225 -0.048834
C -3.399008 -2.870614 -0.486676
C -4.681761 -2.258617 -0.348078
C -2.883474 3.471499 0.912170
C 2.972901 -4.489725 -0.980026
C 1.637634 -4.161547 -0.882707
H 3.625623 1.304059 1.164163
H 3.864416 3.650895 1.627284
H 2.188413 3.320783 2.170263
H 3.359608 1.582590 -1.572494
H 4.636943 2.473900 -0.693714
H 2.679345 5.351804 0.347079
H 1.239107 4.317445 0.172908
H 2.048826 3.570637 -1.877364
H 3.610458 4.392593 -1.652203
H 0.183651 -1.457159 -0.221757
H 3.403987 -0.326272 0.018962
H -0.480603 2.143269 0.606751
H -1.266105 -2.620434 -0.438992
H -5.739529 -0.392496 0.066235
H -3.328727 -3.938900 -0.720382
H -5.589161 -2.859171 -0.476152
H -3.960973 3.690951 0.964163
H -2.416761 3.732031 1.880925
H -2.421833 4.120032 0.143631
H 3.433650 -5.444756 -1.218012
H 0.814955 -4.858606 -1.042081


