%chk=000069827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069827

0 1
 S   -6.585900     -0.9651000      3.8899999E-02
 N   -8.601500       1.049800      2.2800000E-02
 C    1.304100     -0.4552000     -3.4699999E-02
 C    2.545400      0.4405000     -1.4000000E-03
 C  -1.1800000E-02  0.3313000     -8.0000004E-03
 C    3.860300     -0.3452000      4.3600000E-02
 C   -1.254100     -0.5618000     -6.4199999E-02
 C    5.105200      0.5439000      2.0999999E-03
 C   -2.567400      0.2293000     -4.8900001E-02
 C    6.385000     -0.2935000      6.0100000E-02
 C   -3.811200     -0.6666000     -2.0800000E-02
 C    7.631000      0.5881000     -2.0500001E-02
 C   -5.125300      0.1146000     -1.7000000E-03
 C    8.903800     -0.2430000      3.1999999E-03
 C   -7.777700      0.2331000      2.9400000E-02
 H    1.334700      -1.078700     -0.9367000    
 H    1.328900      -1.137900      0.8236000    
 H    2.493900       1.099300      0.8742000    
 H    2.541700       1.088800     -0.8862000    
 H  -3.1099999E-02   1.026400     -0.8565000    
 H  -4.7100000E-02  0.9417000      0.9026000    
 H    3.879700     -0.9559000      0.9549000    
 H    3.888500      -1.041300     -0.8040000    
 H   -1.217200      -1.179500     -0.9699000    
 H   -1.237700      -1.249800      0.7900000    
 H    5.095400       1.141800     -0.9171000    
 H    5.084100       1.244800      0.8451000    
 H   -2.607600      0.8785000     -0.9320000    
 H   -2.581600      0.8863000      0.8295000    
 H    6.403800     -0.8744000      0.9902000    
 H    6.390900      -1.011400     -0.7693000    
 H   -3.789400      -1.324800     -0.8988000    
 H   -3.758000      -1.313300      0.8644000    
 H    7.608400       1.182300     -0.9414000    
 H    7.643600       1.292000      0.8198000    
 H   -5.182800      0.7511000     -0.8920000    
 H   -5.148100      0.7687000      0.8772000    
 H    8.973300     -0.8277000      0.9261000    
 H    9.782300      0.4073000     -5.3900000E-02
 H    8.937100     -0.9342000     -0.8450000    


%chk=000069827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069827

0 1
S -6.653121 -1.005820 0.001517
N -8.874728 0.920675 -0.045647
C 1.291653 -0.465660 0.002280
C 2.555000 0.424119 -0.007962
C -0.024913 0.343443 -0.011427
C 3.872422 -0.383539 0.003426
C -1.287178 -0.547807 -0.000076
C 5.135748 0.506443 -0.005664
C -2.601681 0.265995 -0.013985
C 6.453904 -0.299944 0.005616
C -3.859492 -0.638882 -0.002189
C 7.716863 0.591414 -0.003996
C -5.144554 0.198995 -0.019511
C 9.029127 -0.222071 0.009009
C -7.952679 0.153091 -0.026099
H 1.314529 -1.143965 -0.876233
H 1.311225 -1.119057 0.899551
H 2.533627 1.101452 0.871417
H 2.535014 1.078946 -0.904292
H -0.043846 0.996004 -0.909224
H -0.046288 1.022036 0.866791
H 3.892669 -1.039102 0.899219
H 3.895016 -1.060317 -0.876388
H -1.265549 -1.225558 -0.878515
H -1.268100 -1.199353 0.898051
H 5.115526 1.162115 -0.901510
H 5.113491 1.183395 0.874132
H -2.620545 0.915895 -0.912809
H -2.623112 0.942130 0.865205
H 6.476351 -0.955406 0.901549
H 6.478257 -0.977045 -0.874020
H -3.836041 -1.311151 -0.882225
H -3.840346 -1.281398 0.899949
H 7.693931 1.244991 -0.900011
H 7.691004 1.268496 0.874294
H -5.237379 0.805176 -0.934467
H -5.239527 0.839324 0.871662
H 9.090189 -0.860479 0.910700
H 9.916311 0.437602 0.001288
H 9.092822 -0.884883 -0.874706


