%chk=000227345.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227345

0 1
 S   -1.676400       1.952100      -1.769300    
 N  -0.6857000      7.7299997E-02  0.4719000    
 N   0.8074000      -3.886600     -0.4793000    
 C  -0.3741000      -1.350000      0.6384000    
 C   0.3247000      0.9046000     -8.7300003E-02
 C  -0.9569000      -2.160500     -0.5168000    
 C   -2.070100      0.3781000      0.4977000    
 C    1.673100      0.9194000      0.4163000    
 C  -1.0100000E-02   1.772800      -1.151100    
 C  -0.6531000      -3.655000     -0.4423000    
 C   -2.636200       1.263500     -0.4358000    
 C    2.654600       1.695500     -0.2566000    
 C   0.9763000       2.531900      -1.787100    
 C   -2.916600     -0.1817000       1.475600    
 C    2.296100       2.474000      -1.358800    
 C    2.105300      0.2440000       1.586600    
 C   -4.005000       1.569300     -0.3853000    
 C    3.988100       1.711200      0.1874000    
 C   -4.276500      0.1298000       1.523800    
 C   -4.820300       1.006800      0.5938000    
 C    3.432200      0.2742000       2.024600    
 C    1.360200      -3.359400      -1.719600    
 C    1.085900      -5.309900     -0.3439000    
 C    4.377200      0.9986000       1.316800    
 H  -0.7250000      -1.733800       1.602800    
 H   0.7007000      -1.538200      0.6348000    
 H  -0.6607000      -1.733200      -1.482000    
 H   -2.051300      -2.076100     -0.5088000    
 H   -1.157300      -4.175600      -1.266600    
 H   -1.063800      -4.050600      0.4952000    
 H   0.7315000       3.180900      -2.625400    
 H   -2.529900     -0.8470000       2.242700    
 H    3.037900       3.075900      -1.880500    
 H    1.400300     -0.2923000       2.217700    
 H   -4.453300       2.243300      -1.112100    
 H    4.739700       2.296700     -0.3393000    
 H   -4.906700     -0.3084000       2.292200    
 H   -5.878000       1.250100      0.6273000    
 H    3.717700     -0.2607000       2.925700    
 H   0.8291000      -3.722800      -2.607000    
 H    2.411600      -3.655500      -1.822300    
 H    1.376900      -2.265300      -1.734800    
 H   0.6541000      -5.898500      -1.161800    
 H   0.6898000      -5.694000      0.6029000    
 H    2.166400      -5.491800     -0.3244000    
 H    5.409400       1.027200       1.651900    


%chk=000227345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227345

0 1
S -1.674752 1.730176 -1.992986
N -0.637396 -0.025759 0.287321
N 0.770204 -4.092263 -0.635571
C -0.303445 -1.472971 0.392239
C 0.326884 0.911649 -0.199589
C -1.034304 -2.317087 -0.676786
C -1.998320 0.380214 0.450649
C 1.639212 1.013827 0.411166
C 0.001039 1.797211 -1.241982
C -0.686760 -3.815879 -0.564396
C -2.608834 1.265889 -0.478330
C 2.623268 1.904300 -0.176662
C 0.948430 2.720156 -1.772064
C -2.773563 -0.079345 1.547652
C 2.252353 2.742164 -1.278349
C 2.000484 0.293114 1.598947
C -3.934040 1.712315 -0.303060
C 3.938648 1.967468 0.391654
C -4.115891 0.329622 1.703303
C -4.699092 1.234243 0.786242
C 3.283143 0.394211 2.142994
C 1.363756 -3.751646 -1.945421
C 1.084227 -5.480004 -0.239136
C 4.271766 1.220498 1.522680
H -0.544092 -1.864745 1.401708
H 0.781986 -1.595924 0.260393
H -0.784653 -1.923412 -1.679827
H -2.129695 -2.207617 -0.561301
H -1.251253 -4.377714 -1.355051
H -1.045317 -4.195280 0.413550
H 0.643752 3.389253 -2.583501
H -2.317858 -0.753058 2.280925
H 2.996471 3.421087 -1.709535
H 1.246053 -0.316367 2.103570
H -4.370282 2.410349 -1.025679
H 4.677819 2.631834 -0.071976
H -4.699414 -0.045177 2.551436
H -5.735264 1.564426 0.913066
H 3.532063 -0.154505 3.057996
H 0.918001 -4.333551 -2.792762
H 2.448598 -3.957378 -1.920397
H 1.232278 -2.678111 -2.163314
H 0.644152 -6.248833 -0.925285
H 0.700932 -5.673626 0.778943
H 2.179478 -5.624583 -0.225934
H 5.278429 1.281128 1.950361


