%chk=000178145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178145

0 1
 S    3.885100       1.348300      0.2256000    
 N   -1.455300     -0.5125000       1.737300    
 C    1.151900     -0.2411000      0.4276000    
 C   0.9644000     -0.2923000       1.949200    
 C  -0.3906000      0.2739000       2.348600    
 C    2.397900      -1.007900      1.9099999E-02
 C    1.110600       1.195200     -6.5300003E-02
 C   -2.763600      1.6400000E-02   2.096200    
 C    3.657500     -0.3940000     -7.7500001E-02
 C    2.267200       1.985300     -0.1690000    
 C   -3.889100     -0.7583000       1.393100    
 C    2.294700      -2.388700     -0.2281000    
 C  -0.1335000       1.766900     -0.3869000    
 C   -2.940000     -3.1900000E-02   3.610600    
 C    4.782500      -1.159500     -0.4168000    
 C    2.165300       3.319400     -0.5893000    
 C   -3.762500     -0.7462000     -0.1118000    
 C    3.417400      -3.141100     -0.5714000    
 C  -0.2250000       3.092300     -0.8100000    
 C    4.661100      -2.526400     -0.6648000    
 C   0.9244000       3.868400     -0.9107000    
 C   -4.369900      0.2670000     -0.8361000    
 C   -3.041700      -1.748800     -0.7403000    
 C   -4.253300      0.2779000      -2.226100    
 C   -2.924900      -1.737900      -2.130200    
 C   -3.530800     -0.7246000      -2.873100    
 H   0.3223000     -0.7612000     -7.2099999E-02
 H    1.753300      0.2732000       2.462200    
 H    1.048900      -1.327000       2.308900    
 H  -0.4759000       1.342300       2.131600    
 H  -0.4226000      0.1849000       3.440400    
 H   -2.831400       1.063400       1.770900    
 H   -1.377000      -1.487100       2.026500    
 H   -4.863500     -0.3363000       1.674300    
 H   -3.913200      -1.799200       1.744900    
 H    1.332200      -2.889000     -0.1486000    
 H   -1.045700       1.179900     -0.3449000    
 H   -3.981900      0.1809000       3.878000    
 H   -2.338100      0.7213000       4.128800    
 H   -2.698000      -1.019200       4.020600    
 H    5.766300     -0.7016000     -0.4948000    
 H    3.050000       3.946600     -0.6746000    
 H    3.320700      -4.206100     -0.7604000    
 H   -1.192200       3.515600      -1.064300    
 H    5.537900      -3.110100     -0.9289000    
 H   0.8563000       4.901200      -1.239200    
 H   -4.932100       1.053300     -0.3407000    
 H   -2.568800      -2.545600     -0.1733000    
 H   -4.724000       1.067600      -2.804300    
 H   -2.362400      -2.518500      -2.634100    
 H   -3.439400     -0.7159000      -3.955300    


%chk=000178145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178145

0 1
S 3.786156 1.351331 0.360507
N -1.444378 -0.598032 2.090421
C 1.094272 -0.307480 0.415370
C 1.017719 -0.227428 1.981108
C -0.337324 0.295607 2.500300
C 2.349810 -1.067882 0.001097
C 1.018732 1.083107 -0.209056
C -2.824585 -0.103362 2.308481
C 3.622238 -0.442392 -0.017011
C 2.151477 1.934878 -0.254950
C -3.823260 -0.949295 1.459389
C 2.285400 -2.446258 -0.323353
C -0.205458 1.575305 -0.729451
C -3.257647 -0.084785 3.800515
C 4.796594 -1.168406 -0.320339
C 2.068178 3.246343 -0.775800
C -3.668327 -0.743310 -0.038196
C 3.449855 -3.188145 -0.619904
C -0.305337 2.885866 -1.246386
C 4.711174 -2.547915 -0.609899
C 0.831903 3.726930 -1.261339
C -4.297681 0.357731 -0.676621
C -2.873410 -1.612393 -0.828216
C -4.132948 0.589456 -2.061353
C -2.705950 -1.387653 -2.213980
C -3.333843 -0.283537 -2.836072
H 0.202401 -0.876138 0.095483
H 1.829933 0.418955 2.364356
H 1.200128 -1.244243 2.385824
H -0.536947 1.295687 2.070524
H -0.259908 0.430101 3.607115
H -2.849187 0.936346 1.923465
H -1.323495 -1.549377 2.470501
H -4.849887 -0.677556 1.773430
H -3.681057 -2.017285 1.721558
H 1.305085 -2.938760 -0.330821
H -1.084414 0.920334 -0.715103
H -4.246027 0.395765 3.927699
H -2.528481 0.472009 4.416682
H -3.328064 -1.115659 4.199783
H 5.765153 -0.657313 -0.343426
H 2.962736 3.877224 -0.817075
H 3.375712 -4.254389 -0.860258
H -1.263672 3.244247 -1.637897
H 5.621183 -3.111806 -0.842510
H 0.765624 4.743673 -1.664329
H -4.925968 1.035710 -0.084258
H -2.381381 -2.468102 -0.351305
H -4.631587 1.442400 -2.536284
H -2.085672 -2.069331 -2.807173
H -3.204067 -0.107571 -3.909744


