%chk=000024352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024352

0 1
 S    2.297500      -2.871000      0.1291000    
 O   -4.414000      -2.505000     -0.3242000    
 N    1.062800     -5.0400000E-02  0.5591000    
 N  -0.8449000       4.405700     -0.4129000    
 C   0.5420000       1.176500       1.175900    
 C   0.1064000       2.176800      0.1058000    
 C   0.1382000      -1.093100      0.2982000    
 C    2.437300     -7.3600002E-02  0.2118000    
 C  -0.4014000       3.514700      0.6524000    
 C   0.5773000      -2.411200      6.3299999E-02
 C    3.104300      -1.290500     -3.1599998E-02
 C   -1.252500     -0.8587000      0.2257000    
 C   -2.163000      -1.884200     -4.3200001E-02
 C    3.190000       1.111400      5.8600001E-02
 C  -0.3435000      -3.440200     -0.2022000    
 C   -1.708400      -3.177000     -0.2541000    
 C    4.465900      -1.307400     -0.3829000    
 C    4.541700       1.089100     -0.2956000    
 C   -1.850200       3.748400      -1.250000    
 C   -1.382500       5.648100      0.1446000    
 C    5.181200     -0.1217000     -0.5133000    
 C   -3.588200      -1.598200     -9.3400002E-02
 C   -4.092300     -0.1630000      0.1408000    
 C   -5.603400     -2.5599999E-02  3.8199998E-02
 H  -0.2859000      0.9617000       1.864500    
 H    1.295900       1.631300       1.832700    
 H  -0.6690000       1.698700     -0.4949000    
 H   0.9090000       2.380700     -0.6103000    
 H   0.4131000       3.991000       1.212000    
 H   -1.214100       3.322200       1.365700    
 H   -1.639700      0.1345000      0.4059000    
 H    2.772800       2.096100      0.2378000    
 H  -5.5999998E-03  -4.460700     -0.3715000    
 H   -2.391200      -3.996000     -0.4617000    
 H    4.984900      -2.247600     -0.5591000    
 H    5.091900       2.020600     -0.3932000    
 H   -2.315600       4.475000      -1.927800    
 H   -2.652400       3.286700     -0.6626000    
 H   -1.402800       3.001400      -1.913200    
 H  -0.6267000       6.154000      0.7558000    
 H   -2.268900       5.473900      0.7655000    
 H   -1.653300       6.344900     -0.6567000    
 H    6.232000     -0.1447000     -0.7850000    
 H   -3.785600      0.1552000       1.143100    
 H   -3.637100      0.4937000     -0.6088000    
 H   -6.105500     -0.6564000      0.7790000    
 H   -5.904700       1.012200      0.2109000    
 H   -5.957800     -0.3254000     -0.9535000    


%chk=000024352-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024352

0 1
S 2.354052 -2.957059 0.513628
O -4.416906 -2.346852 -0.259928
N 1.227102 -0.035512 0.606651
N -1.160477 4.361779 -0.262752
C 0.744067 1.273897 1.103375
C 0.226278 2.269328 0.023395
C 0.259615 -1.053678 0.354626
C 2.585969 -0.147766 0.181966
C -0.783263 3.257403 0.644048
C 0.634765 -2.423430 0.217085
C 3.219343 -1.413789 0.029569
C -1.123893 -0.745939 0.258576
C -2.103900 -1.750000 0.039765
C 3.368694 1.008439 -0.093375
C -0.329230 -3.421787 -0.039306
C -1.695089 -3.097471 -0.119653
C 4.554559 -1.521646 -0.404132
C 4.719934 0.903073 -0.487911
C -1.879489 3.905284 -1.469517
C -1.903286 5.424421 0.447803
C 5.321828 -0.361257 -0.655007
C -3.569054 -1.428470 -0.049938
C -4.022183 0.029514 0.115442
C -5.547162 0.202852 0.018876
H -0.068923 1.064965 1.825063
H 1.561338 1.737562 1.684226
H -0.236517 1.701557 -0.803505
H 1.054339 2.851085 -0.419710
H -0.329856 3.709766 1.548695
H -1.688103 2.683168 0.994253
H -1.450498 0.290059 0.356568
H 2.922808 2.001957 -0.013202
H 0.000178 -4.459898 -0.154409
H -2.456993 -3.861349 -0.299891
H 4.998582 -2.515713 -0.525372
H 5.292763 1.816861 -0.679138
H -2.132992 4.777816 -2.096664
H -2.832402 3.362320 -1.231529
H -1.243011 3.235863 -2.071832
H -1.299165 5.800116 1.292804
H -2.890071 5.081978 0.852182
H -2.091252 6.268627 -0.238906
H 6.364919 -0.449959 -0.973722
H -3.650300 0.405701 1.091233
H -3.513965 0.645196 -0.656145
H -6.060415 -0.389453 0.795317
H -5.826618 1.264826 0.141346
H -5.922119 -0.151485 -0.956248


