%chk=000114814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114814

0 1
 O  -0.9578000      -1.393600       1.872900    
 N   -1.738200       1.131800      0.1290000    
 N   -2.784600      0.8939000      0.8796000    
 N   -3.026100       2.721200     -0.4750000    
 C    2.026900      0.2533000     -0.1505000    
 C    2.676400      0.3083000       1.239800    
 C    2.922200      0.9321000      -1.197000    
 C    4.085600     -0.2809000       1.228400    
 C    4.331100      0.3421000      -1.202900    
 C    4.968100      0.3917000      0.1819000    
 C   -1.441000      -2.116800     -0.4398000    
 C   0.6646000      0.8790000     -0.1273000    
 C  -0.6045000      -1.180500      0.5045000    
 C  -0.5445000      0.3228000      0.1500000    
 C   -1.444200      -3.590700     -1.4000000E-03
 C   -2.902300      -1.637000     -0.5363000    
 C  -0.8267000      -2.065300      -1.859100    
 C   -1.842900       2.187800     -0.6726000    
 C   -3.562000       1.900900      0.4759000    
 H    1.956600     -0.7947000     -0.4625000    
 H    2.067000     -0.2413000       1.967500    
 H    2.724900       1.347500       1.591600    
 H    2.991100       2.009900     -0.9974000    
 H    2.482300      0.8245000      -2.196500    
 H    4.029100      -1.356900       1.022400    
 H    4.539200     -0.1691000       2.219600    
 H    4.956700      0.8908000      -1.916000    
 H    4.289700     -0.6979000      -1.549300    
 H    5.140800       1.436800      0.4672000    
 H    5.947800     -9.8300003E-02  0.1552000    
 H   0.7021000       1.954000     -0.3029000    
 H   0.4028000      -1.601500      0.4663000    
 H  -0.4218000      -3.975100      8.5199997E-02
 H   -1.979400      -4.225700     -0.7166000    
 H   -1.928400      -3.711600      0.9738000    
 H   -3.361300      -1.534900      0.4513000    
 H   -3.013300     -0.7201000      -1.118800    
 H   -3.504600      -2.382700      -1.072500    
 H  -0.8528000      -1.053800      -2.278400    
 H   -1.375200      -2.715600      -2.550500    
 H   0.2174000      -2.397900      -1.849300    
 H  -0.4259000     -0.7865000       2.415200    
 H   -1.116000       2.548000      -1.388600    
 H   -4.550500       2.041000      0.8875000    


%chk=000114814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114814

0 1
O -1.567415 -1.447189 1.833701
N -1.675121 1.094160 0.329800
N -2.755906 0.898713 1.211768
N -3.163861 2.705813 -0.171193
C 2.067269 0.174086 0.166167
C 2.974586 0.692834 1.322497
C 2.741536 0.455662 -1.211950
C 4.397085 0.089621 1.244578
C 4.163755 -0.148611 -1.284813
C 5.054606 0.363683 -0.128476
C -1.393018 -2.048679 -0.611847
C 0.709017 0.831410 0.230892
C -0.781518 -1.252191 0.607572
C -0.508701 0.235510 0.371584
C -1.394606 -3.545729 -0.199982
C -2.844730 -1.614906 -0.938358
C -0.493484 -1.858967 -1.860565
C -1.954805 2.177944 -0.481059
C -3.612412 1.893561 0.862793
H 1.971433 -0.924445 0.275792
H 2.505155 0.453963 2.295516
H 3.041011 1.799617 1.259687
H 2.802294 1.553893 -1.364741
H 2.108426 0.051036 -2.024836
H 4.339201 -1.006041 1.409973
H 5.022805 0.501992 2.059527
H 4.624172 0.094542 -2.261891
H 4.094605 -1.254873 -1.230248
H 5.212816 1.455967 -0.246121
H 6.053130 -0.111832 -0.175641
H 0.735162 1.931131 0.157298
H 0.195262 -1.722320 0.820711
H -0.363964 -3.917507 -0.039896
H -1.860405 -4.163606 -0.990210
H -1.956022 -3.682773 0.739830
H -3.488003 -1.679602 -0.043169
H -2.896849 -0.584459 -1.334000
H -3.268515 -2.285705 -1.708877
H -0.503325 -0.812758 -2.219006
H -0.850773 -2.502796 -2.685605
H 0.556695 -2.139559 -1.647871
H -2.254443 -0.710370 1.876145
H -1.295798 2.520543 -1.273185
H -4.567942 2.028238 1.361308


