%chk=000170991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170991

0 1
 O   0.8544000      -2.029000     -1.4400000E-02
 O  -3.8800001E-02   2.518500     -2.7200000E-02
 O   -3.522500     -0.3819000      8.9999996E-03
 N   0.4738000      0.2670000      2.3000001E-03
 N   -1.341600      -1.260400      1.6000000E-03
 N   -1.782600       1.071900     -2.4999999E-03
 C    1.884100      0.5727000      1.3000000E-03
 C    2.554800      4.0199999E-02   1.270200    
 C    2.552800      1.5799999E-02  -1.257800    
 C    4.058100      0.3053000       1.264800    
 C    4.056400      0.2793000      -1.259800    
 C    4.722400     -0.2489000      7.7000000E-03
 C   5.5599999E-02  -1.088800     -3.7000000E-03
 C  -0.4365000       1.352200     -9.8999999E-03
 C   -2.182800     -0.1550000      2.6000000E-03
 C   -1.910000      -2.608200      6.0000001E-03
 C   -4.258900      0.8344000      8.8000000E-03
 C   -5.738600      0.5149000      1.0000000E-03
 H    2.037000       1.658500     -8.8000000E-03
 H    2.407300      -1.035600       1.404100    
 H    2.107600      0.5178000       2.151300    
 H    2.105400      0.4779000      -2.147000    
 H    2.410100      -1.061700      -1.376500    
 H    4.516000     -0.1442000       2.153300    
 H    4.238100       1.385700       1.326200    
 H    4.237100       1.358100      -1.343600    
 H    4.512800     -0.1884000      -2.139500    
 H    5.785300      1.7300000E-02  4.1999999E-03
 H    4.666800      -1.344400      1.8999999E-02
 H   -2.540400      -2.719700      0.8936000    
 H   -1.135600      -3.378500      9.3999999E-03
 H   -2.538800      -2.725600     -0.8819000    
 H   -4.041600       1.418600      0.9118000    
 H   -4.035800       1.423900     -0.8894000    
 H   -6.337400       1.430200      8.9999998E-04
 H   -6.000500     -7.8400001E-02 -0.8814000    
 H   -6.008600     -8.3499998E-02  0.8775000    


%chk=000170991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170991

0 1
O 0.716009 -2.096902 0.010606
O 0.149401 2.580811 -0.018052
O -3.554221 -0.280824 0.005411
N 0.488231 0.250210 -0.000402
N -1.435604 -1.172874 0.006561
N -1.744707 1.213184 -0.005432
C 1.977561 0.473111 -0.000666
C 2.652340 -0.059386 1.286652
C 2.653669 -0.072094 -1.282021
C 4.156205 0.313129 1.278012
C 4.157588 0.300249 -1.275468
C 4.861273 -0.212532 0.004251
C -0.004161 -1.062856 0.006311
C -0.359319 1.432998 -0.009088
C -2.208182 -0.020657 0.001891
C -2.045882 -2.520496 0.012245
C -4.463408 0.916061 0.000306
C -5.885795 0.371494 0.000676
H 2.066255 1.575302 -0.006194
H 2.539784 -1.156852 1.340510
H 2.155531 0.378484 2.173657
H 2.157894 0.357060 -2.173817
H 2.540866 -1.170035 -1.324956
H 4.644067 -0.095884 2.183477
H 4.263835 1.416450 1.325686
H 4.265256 1.403043 -1.334178
H 4.646410 -0.117839 -2.176257
H 5.924461 0.096384 0.003255
H 4.846338 -1.321620 0.009870
H -2.673737 -2.650697 0.908336
H -1.220965 -3.247417 0.016920
H -2.671105 -2.659485 -0.884420
H -4.229418 1.522524 0.892133
H -4.227403 1.516777 -0.894836
H -6.599432 1.215186 -0.002457
H -6.076574 -0.245672 -0.893645
H -6.078162 -0.240336 0.898322


