%chk=000057785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057785

0 1
 S   0.3335000       1.892000      1.9900000E-02
 O   -4.469600      0.9940000      3.1800002E-02
 O    5.075300     -0.2645000     -1.5799999E-02
 N   -2.187300       1.058600      2.6699999E-02
 N  -0.4673000     -0.5597000      7.4999998E-03
 N   -3.382500      -1.013200      1.9400001E-02
 C    1.541800      0.6619000      6.0000001E-03
 C   0.9196000     -0.5901000      1.1000000E-03
 C   -5.486600      3.2099999E-02 -0.1974000    
 C   -4.820000      -1.287900      0.1001000    
 C  -0.8797000      0.6864000      1.8200001E-02
 C   -3.306100      0.2815000      2.7799999E-02
 C    2.939700      0.7954000      1.9999999E-04
 C    1.727600      -1.748100     -9.3999999E-03
 C    3.715900     -0.3664000     -1.0300000E-02
 C    3.119800      -1.622600     -1.5100000E-02
 C    5.625900       1.050700     -1.0500000E-02
 H   -5.811900      0.1043000      -1.240600    
 H   -6.343700      0.2199000      0.4557000    
 H   -5.065700      -1.637700       1.108800    
 H   -5.122600      -2.061400     -0.6120000    
 H   -2.362600       2.061300      3.2800000E-02
 H    3.350000       1.798100      4.6000001E-03
 H    1.272200      -2.734400     -1.3200000E-02
 H    3.734300      -2.519200     -2.3300000E-02
 H    5.364600       1.594100      0.9039000    
 H    5.356200       1.604900     -0.9161000    
 H    6.715700      0.9441000     -1.6200000E-02


%chk=000057785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057785

0 1
S 0.339268 2.044004 -0.085206
O -4.579084 1.019027 -0.053841
O 5.184120 -0.292778 0.033253
N -2.268978 1.038031 -0.053357
N -0.443857 -0.559841 0.018007
N -3.506296 -1.076859 -0.030678
C 1.591967 0.729195 -0.025751
C 0.964963 -0.557152 0.022614
C -5.701629 0.026553 -0.046373
C -4.977293 -1.368249 -0.027359
C -0.935143 0.648581 -0.032619
C -3.392890 0.217061 -0.044218
C 2.990403 0.888237 -0.024861
C 1.781479 -1.713225 0.072497
C 3.780051 -0.288392 0.025941
C 3.178002 -1.577234 0.073992
C 5.866837 1.001145 -0.012343
H -6.301153 0.200088 -0.954789
H -6.307636 0.221501 0.853299
H -5.229446 -1.954477 0.873820
H -5.228561 -1.978200 -0.912865
H -2.477250 2.037455 -0.074235
H 3.444625 1.881018 -0.062431
H 1.305927 -2.697116 0.109417
H 3.833834 -2.451526 0.112033
H 5.610826 1.623311 0.867762
H 5.623539 1.553092 -0.941532
H 6.939873 0.760848 0.004425


