%chk=000172729.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172729

0 1
 O   -1.086900      -1.553200      0.2460000    
 O   -7.706000      -1.855700      -2.031500    
 N   0.9588000     -0.5322000      0.7381000    
 N  -0.9879000      0.7046000      0.8644000    
 N    2.520800       2.538800      0.7712000    
 N   -5.972200     -0.4142000      -1.374200    
 C    3.768500     -3.7400000E-02   1.172300    
 C    3.237700      -1.370800      0.7557000    
 C    4.128200      0.8674000      1.2500000E-02
 C    1.883900      -1.586400      0.5524000    
 C    4.133900      -2.423000      0.5678000    
 C    3.503100       2.093100     -0.1404000    
 C    1.403200      -2.828000      0.1660000    
 C    5.093200      0.4318000     -0.8809000    
 C    3.664800      -3.677700      0.1789000    
 C    2.299400      -3.880200     -2.2000000E-02
 C    3.852400       2.907500      -1.217600    
 C    5.442600       1.246200      -1.957900    
 C   -2.325200       1.101200      0.8292000    
 C  -0.4359000     -0.5683000      0.5803000    
 C    4.822200       2.484100      -2.126300    
 C   -4.653000      0.5810000      0.4449000    
 C   -3.316100      0.1843000      0.4787000    
 C   -2.671200       2.414800       1.146200    
 C   -4.999000       1.894600      0.7618000    
 C   -4.007900       2.811500       1.112400    
 C   -5.713100     -0.3993000      7.0799999E-02
 C   -6.838200      -1.134600      -1.698700    
 H    3.130700      0.4059000       1.939000    
 H    4.702200     -0.1950000       1.735700    
 H    5.199800      -2.291600      0.7337000    
 H   0.3680000      -3.074200     -1.1500000E-02
 H    5.609700     -0.5143000     -0.7642000    
 H    1.340500      0.3681000       1.002900    
 H    4.362100      -4.498000      3.5900000E-02
 H    1.935700      -4.858200     -0.3241000    
 H    3.377300       3.874800      -1.360600    
 H    6.201500      0.9193000      -2.662800    
 H    5.095300       3.118700      -2.964300    
 H  -0.3249000       1.429100       1.129100    
 H   -3.115500     -0.8455000      0.2195000    
 H   -1.909400       3.140000       1.421200    
 H    2.334900       2.077200       1.646700    
 H    2.084800       3.438300      0.6096000    
 H   -6.036600       2.216800      0.7375000    
 H   -4.277200       3.834400       1.358700    
 H   -6.633300     -0.1573000      0.6233000    
 H   -5.416000      -1.401300      0.4137000    


%chk=000172729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172729

0 1
O -0.870573 -1.766031 0.219695
O -9.279368 0.005135 -0.615407
N 1.210310 -0.703999 0.629582
N -0.707423 0.577741 0.505527
N 2.133779 2.266832 1.134403
N -6.865300 0.114760 -0.318210
C 3.957215 -0.115481 1.338124
C 3.484713 -1.523023 0.959347
C 3.973200 0.885709 0.172398
C 2.118419 -1.792729 0.621194
C 4.408646 -2.592501 0.955414
C 3.120131 2.027098 0.112294
C 1.718799 -3.116864 0.296128
C 4.868001 0.666136 -0.904001
C 4.017433 -3.909551 0.626709
C 2.666727 -4.160745 0.299245
C 3.174656 2.900645 -1.004973
C 4.927113 1.531866 -2.015479
C -2.059401 0.978214 0.367637
C -0.179559 -0.725852 0.431641
C 4.069634 2.655387 -2.064657
C -4.448160 0.549718 0.015154
C -3.123715 0.069383 0.136605
C -2.342111 2.370069 0.473740
C -4.726894 1.929537 0.121325
C -3.664321 2.834107 0.350921
C -5.550190 -0.479861 -0.235374
C -8.065337 -0.009825 -0.474807
H 3.347484 0.260692 2.184354
H 4.985786 -0.202127 1.733601
H 5.452412 -2.386756 1.224800
H 0.671901 -3.306324 0.052928
H 5.516320 -0.217652 -0.869154
H 1.610620 0.230051 0.775671
H 4.751535 -4.722012 0.632441
H 2.341710 -5.175757 0.044597
H 2.511682 3.774845 -1.041426
H 5.626136 1.332135 -2.833910
H 4.098632 3.338579 -2.920301
H -0.028755 1.330230 0.679727
H -2.894726 -0.996675 0.056363
H -1.524875 3.081741 0.650609
H 2.423775 2.070654 2.097620
H 1.669365 3.177083 1.055193
H -5.757676 2.282523 0.025768
H -3.869939 3.907073 0.434028
H -5.536198 -1.232756 0.578679
H -5.331913 -1.024320 -1.176664


