%chk=000145207.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145207

0 1
 S  -7.9999998E-04  -1.361000       1.254800    
 S  -1.9000000E-03   2.110600      0.8990000    
 N   -1.259400     -0.5330000       1.400400    
 N    1.259500     -0.5343000       1.394400    
 N   -1.270600       1.445600      3.2699998E-02
 N    1.267400       1.448400      3.1700000E-02
 C   -2.871100     -0.2609000     -0.5105000    
 C    2.874700     -0.2597000     -0.5072000    
 C   -3.733700      -1.157900      0.3770000    
 C   -2.287100      -1.060300      -1.675600    
 C   -3.686800      0.9227000      -1.031500    
 C    2.425100      -1.578600      -1.135600    
 C    4.082500     -0.4829000      0.4031000    
 C    3.206300      0.7659000      -1.591500    
 C   -1.734800      0.2672000      0.3327000    
 C    1.730700      0.2683000      0.3261000    
 H   -4.061800     -0.6386000       1.285400    
 H   -4.637800      -1.470600     -0.1595000    
 H   -3.220900      -2.078500      0.6783000    
 H   -1.724900      -1.934800      -1.330400    
 H   -1.599700     -0.4504000      -2.273200    
 H   -3.079900      -1.420800      -2.340500    
 H   -3.115400       1.546200      -1.729300    
 H   -4.031700       1.566300     -0.2135000    
 H   -4.575200      0.5745000      -1.571300    
 H    1.469500      -1.470700      -1.662200    
 H    3.163500      -1.927000      -1.867700    
 H    2.317000      -2.381500     -0.3984000    
 H    3.892400      -1.248500       1.164000    
 H    4.357100      0.4382000      0.9306000    
 H    4.954000     -0.8090000     -0.1758000    
 H    3.524200       1.726300      -1.168300    
 H    2.354400      0.9520000      -2.256700    
 H    4.029800      0.4079000      -2.221100    


%chk=000145207-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145207

0 1
S 0.345246 -2.705172 -0.270765
S -0.077685 -0.556846 2.011798
N -1.259101 -2.076864 -0.664286
N 1.721506 -1.650683 -0.516512
N -1.574879 -0.418839 1.113272
N 1.403727 0.023446 1.244543
C -3.278197 -0.643674 -0.634861
C 3.266017 0.246446 -0.372039
C -3.190988 0.865962 -1.005000
C -4.369925 -0.858122 0.451182
C -3.611374 -1.478154 -1.893651
C 3.039999 0.592689 -1.872051
C 4.480592 -0.714099 -0.228328
C 3.515635 1.540719 0.437623
C -1.898219 -1.053235 -0.046512
C 1.992329 -0.487470 0.135650
H -2.419490 1.045624 -1.776284
H -4.163851 1.200097 -1.409987
H -2.948601 1.474563 -0.116939
H -4.144880 -0.271366 1.356931
H -4.440731 -1.924042 0.733739
H -5.351020 -0.540982 0.052416
H -3.688186 -2.552587 -1.657291
H -2.838903 -1.361520 -2.673403
H -4.579472 -1.136457 -2.305192
H 2.177838 1.272777 -2.000649
H 3.938060 1.099779 -2.270151
H 2.856783 -0.320894 -2.463044
H 4.317615 -1.642324 -0.800625
H 4.649721 -0.980231 0.830732
H 5.390675 -0.213930 -0.607479
H 3.687357 1.322798 1.504764
H 2.657907 2.232510 0.370620
H 4.409096 2.051184 0.032177


