%chk=000168775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168775

0 1
 O   -2.648100       2.385000     -4.1299999E-02
 N    3.471300      0.5904000     -7.2200000E-02
 N    5.100600     -0.8931000     -6.5300003E-02
 N    3.756800     -0.6268000     -5.5199999E-02
 C  -0.6635000       1.079600     -2.9600000E-02
 C   -3.025700      0.1087000      1.3900000E-02
 C   -2.131600       1.255200     -1.4500000E-02
 C  -1.0100000E-02  0.9810000      -1.244300    
 C   1.9900000E-02   1.020300       1.171200    
 C    2.082700      0.7555000     -5.8200002E-02
 C    1.375200      0.8175000      -1.258600    
 C    1.405100      0.8570000       1.156700    
 C   -2.502000      -1.183700      4.4100001E-02
 C   -4.407000      0.3016000      1.0500000E-02
 C   -3.359700      -2.283500      7.1000002E-02
 C   -5.264900     -0.7980000      3.7500001E-02
 C   -4.741100      -2.090500      6.7699999E-02
 C    6.078400      6.5000001E-03  0.5222000    
 C    5.463700      -2.282700     -0.2557000    
 H  -0.5546000       1.029400      -2.182900    
 H  -0.5013000       1.099600       2.120900    
 H    1.894200      0.7401000      -2.210600    
 H    1.947500      0.8105000       2.097400    
 H   -1.435100      -1.383900      4.8000000E-02
 H   -4.844800       1.296000     -1.2800000E-02
 H   -2.952500      -3.290100      9.4700001E-02
 H   -6.340600     -0.6483000      3.4899998E-02
 H   -5.409100      -2.946700      8.8699996E-02
 H    7.063700     -0.2066000      9.7499996E-02
 H    6.101400     -0.1573000       1.602900    
 H    5.834100       1.049800      0.3075000    
 H    6.418800      -2.337400     -0.7852000    
 H    4.699300      -2.789900     -0.8519000    
 H    5.550100      -2.764800      0.7219000    


%chk=000168775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168775

0 1
O -2.327884 0.989033 -2.214679
N 3.427759 -0.260806 0.493316
N 5.596948 -0.420030 -0.019666
N 4.328228 -0.278374 -0.476131
C -0.659635 0.169799 -0.690641
C -3.220676 -0.115517 -0.276706
C -2.077060 0.382822 -1.121546
C 0.356930 0.179264 -1.689665
C -0.271652 0.039351 0.672086
C 2.091906 -0.109269 0.015321
C 1.708887 0.031433 -1.353967
C 1.085192 -0.091496 1.018821
C -3.133012 -1.287556 0.522282
C -4.460805 0.573654 -0.358526
C -4.261879 -1.751486 1.233412
C -5.581350 0.120272 0.365213
C -5.484801 -1.044697 1.165008
C 5.908326 -0.538764 1.415281
C 6.650808 -0.449922 -1.037180
H 0.047881 0.310063 -2.732279
H -1.028565 0.077109 1.461919
H 2.482723 0.025430 -2.126883
H 1.396782 -0.176857 2.064900
H -2.196347 -1.853428 0.559070
H -4.521495 1.456877 -1.003096
H -4.189470 -2.665070 1.833970
H -6.529387 0.666062 0.304649
H -6.357773 -1.402613 1.722559
H 6.998194 -0.647398 1.529742
H 5.390083 -1.412227 1.851041
H 5.554582 0.354057 1.962167
H 7.370153 0.377561 -0.888779
H 6.172525 -0.339645 -2.021897
H 7.204980 -1.407232 -1.008215


