%chk=000039187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039187

0 1
 S    1.805800       2.545000     -8.2000002E-02
 N  -0.6860000     -0.5577000      0.8737000    
 N    3.428500      -1.417300     -0.9122000    
 C    1.241000       1.086400      0.9234000    
 C  -0.1193000      0.6250000      0.4656000    
 C   -1.033200       1.258600     -0.3607000    
 C    2.298000     -1.0100000E-02  0.7226000    
 C  -0.8088000       2.581800      -1.012000    
 C   -2.177900      0.4117000     -0.4703000    
 C   -1.931700     -0.7158000      0.3135000    
 C   0.2217000       3.434000     -0.2734000    
 C    1.196300       1.509500       2.398200    
 C    2.432500     -0.3650000     -0.7495000    
 C  -0.1298000      -1.511400       1.813100    
 C   -3.404200      0.4975000      -1.161900    
 C   -2.850700      -1.763500      0.4430000    
 C   0.6614000      -2.606900       1.119400    
 C   -4.332800     -0.5427000      -1.043300    
 C   -4.058200      -1.655400     -0.2520000    
 C    4.739100     -0.9636000     -0.4435000    
 C    3.508300      -1.840000      -2.311600    
 H    2.205700     -0.8696000       1.375000    
 H    3.243500      0.4334000       1.069600    
 H  -0.4881000       2.418600      -2.048800    
 H   -1.753600       3.136900      -1.056400    
 H   0.4118000       4.353400     -0.8363000    
 H  -0.1429000       3.727300      0.7167000    
 H    1.040100      0.6998000       3.109300    
 H    2.140700       1.981000       2.699900    
 H   0.3967000       2.237800       2.582100    
 H    2.735400      0.4852000      -1.369200    
 H    1.476900     -0.7118000      -1.156500    
 H   0.4755000      -1.013400       2.559500    
 H  -0.9514000      -1.949200       2.391700    
 H   -3.633400       1.358800      -1.782800    
 H   -2.649100      -2.639700       1.049500    
 H   1.0800000E-02  -3.481000      0.9875000    
 H    1.496600      -2.946400       1.740500    
 H    1.011500      -2.363800      0.1199000    
 H   -5.278300     -0.4799000      -1.575300    
 H   -4.792500      -2.453000     -0.1744000    
 H    4.785100     -0.9002000      0.6479000    
 H    5.512300      -1.693800     -0.7125000    
 H    5.031100      9.9999997E-05 -0.8765000    
 H    2.537000      -2.209900      -2.658500    
 H    3.824700      -1.025300      -2.973300    
 H    4.214900      -2.670000      -2.423600    


%chk=000039187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039187

0 1
S 1.687526 2.863062 -0.023757
N -0.589812 -0.575954 0.883036
N 3.401342 -1.420655 -0.858234
C 1.251012 1.252959 0.970681
C -0.082788 0.698479 0.481224
C -1.031437 1.313446 -0.352304
C 2.475800 0.327713 0.694589
C -0.951399 2.688297 -0.972522
C -2.146525 0.403069 -0.495022
C -1.845542 -0.763161 0.286125
C -0.029929 3.624275 -0.179173
C 1.192569 1.653997 2.469327
C 2.588454 -0.178258 -0.760632
C -0.005028 -1.596696 1.777665
C -3.378521 0.472698 -1.196962
C -2.745056 -1.850059 0.383779
C 0.621197 -2.797994 1.033223
C -4.277618 -0.607666 -1.104892
C -3.963652 -1.756244 -0.319642
C 4.817420 -1.214135 -0.483694
C 3.283039 -2.038047 -2.197728
H 2.424721 -0.553467 1.360269
H 3.383658 0.890305 0.987870
H -0.591502 2.628462 -2.019488
H -1.968155 3.131261 -1.011852
H 0.132768 4.586046 -0.694567
H -0.424300 3.822792 0.832515
H 0.944459 0.790085 3.115303
H 2.167011 2.061143 2.791344
H 0.421959 2.426131 2.636903
H 2.992622 0.634811 -1.411675
H 1.575097 -0.412906 -1.136855
H 0.744699 -1.120174 2.427166
H -0.815376 -1.949426 2.445312
H -3.628508 1.351653 -1.802394
H -2.517352 -2.740014 0.980117
H -0.113678 -3.263527 0.353060
H 0.940002 -3.562906 1.766318
H 1.507371 -2.499671 0.443634
H -5.232507 -0.570460 -1.641171
H -4.682133 -2.581936 -0.263497
H 4.891063 -0.860602 0.558690
H 5.359756 -2.174035 -0.554328
H 5.338452 -0.470824 -1.139805
H 2.221006 -2.248192 -2.417402
H 3.684420 -1.392819 -3.019698
H 3.834396 -2.995457 -2.215753


