%chk=000172709.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172709

1 1
 O   -5.946400       1.763400     -0.5509000    
 N   -7.573200     -0.2599000      0.5500000    
 N    6.121400      -1.112400      0.1803000    
 N   0.1432000      1.3900000E-02 -0.6623000    
 N   0.5618000     -0.4915000      0.4057000    
 N    8.924600       2.849200      0.2197000    
 C   -6.315800     -0.5892000     -0.2415000    
 C   -8.386600      0.7843000     -0.2010000    
 C   -8.406300      -1.521400      0.7264000    
 C   -7.184300      0.2863000       1.916200    
 C   -5.459600      0.6407000     -0.4384000    
 C   -3.978500      0.4751000     -0.4982000    
 C   -3.180700       1.506800     -5.7500001E-02
 C   -3.465200     -0.7034000     -0.9908000    
 C   -1.795600       1.351600     -0.1125000    
 C   -2.080000     -0.8584000      -1.045800    
 C   -1.245200      0.1690000     -0.6065000    
 C    6.997300     -4.5100000E-02  0.6211000    
 C    4.720800     -0.9562000      0.2370000    
 C    6.703000      -2.336900     -0.3325000    
 C    3.885900      -1.983800     -0.2019000    
 C    4.170500      0.2260000      0.7321000    
 C    7.325700      0.8994000     -0.5303000    
 C    1.957300     -0.6477000      0.3490000    
 C    2.500800      -1.829000     -0.1457000    
 C    2.785400      0.3807000      0.7883000    
 C    8.219400       1.988800     -0.1100000    
 H   -5.780700      -1.354300      0.3311000    
 H   -6.618700     -0.9913000      -1.214400    
 H   -8.071600       1.794800      6.8000004E-02
 H   -9.431700      0.6844000      0.1130000    
 H   -8.318800      0.5967000      -1.276600    
 H   -8.697000      -1.882900     -0.2644000    
 H   -7.797700      -2.268900       1.244000    
 H   -9.291800      -1.276900       1.320700    
 H   -6.567000     -0.4607000       2.424600    
 H   -6.637600       1.226100       1.810200    
 H   -8.103500      0.4618000       2.484200    
 H   -3.596000       2.430200      0.3343000    
 H   -4.093000      -1.510100      -1.354900    
 H   -1.153200       2.157900      0.2325000    
 H   -1.660400      -1.781800      -1.436800    
 H    6.632100      0.4849000       1.508300    
 H    7.940000     -0.4868000      0.9760000    
 H    7.798300      -2.293400     -0.3262000    
 H    6.406600      -2.511900      -1.372800    
 H    6.418700      -3.198400      0.2817000    
 H    4.264700      -2.922500     -0.5941000    
 H    4.759700       1.070400       1.070700    
 H    6.406600       1.331200     -0.9431000    
 H    7.796800      0.3401000      -1.347800    
 H    1.856900      -2.634600     -0.4887000    
 H    2.363900       1.306200       1.171900    


%chk=000172709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172709

1 1
O -6.033484 -0.742852 1.961750
N -7.960831 0.072062 0.024440
N 6.521967 -0.267877 0.336080
N 0.129977 -0.036218 -0.015574
N 0.909656 -0.415732 0.992841
N 8.443182 -0.121517 -4.196432
C -6.454591 0.174606 -0.273031
C -8.342753 0.936914 1.232747
C -8.712629 0.584594 -1.203754
C -8.371723 -1.383326 0.282125
C -5.521268 -0.308019 0.875414
C -4.079906 -0.230238 0.631440
C -3.194354 -0.659279 1.674128
C -3.516215 0.250803 -0.593512
C -1.809873 -0.612031 1.508235
C -2.128465 0.298101 -0.764486
C -1.251962 -0.129400 0.279051
C 7.182479 0.174548 -0.905070
C 5.139686 -0.297730 0.460334
C 7.382360 -0.748304 1.437555
C 4.524726 -0.724134 1.688838
C 4.273348 0.096423 -0.626539
C 7.307446 -0.985078 -1.946930
C 2.283844 -0.349840 0.742160
C 3.135756 -0.745944 1.818635
C 2.888899 0.073983 -0.487511
C 7.935123 -0.523791 -3.194823
H -6.271806 -0.420259 -1.185945
H -6.250255 1.234828 -0.507328
H -7.828922 0.536455 2.116428
H -9.435451 0.891174 1.358515
H -8.029263 1.974643 1.038819
H -8.432233 1.632549 -1.390969
H -8.451738 -0.035679 -2.075004
H -9.794374 0.518403 -1.011645
H -8.085249 -1.991911 -0.589881
H -7.851639 -1.731021 1.184205
H -9.463441 -1.414661 0.420543
H -3.636836 -1.025701 2.606210
H -4.152685 0.589767 -1.419170
H -1.126974 -0.936460 2.297867
H -1.678230 0.661117 -1.693426
H 6.635623 1.021852 -1.351048
H 8.189968 0.547380 -0.656099
H 8.435441 -0.706387 1.120836
H 7.147529 -1.793965 1.710595
H 7.271601 -0.116047 2.338420
H 5.140362 -1.029092 2.537762
H 4.695232 0.420712 -1.581826
H 6.306658 -1.396653 -2.174793
H 7.908722 -1.809718 -1.520886
H 2.665818 -1.066501 2.754005
H 2.237046 0.374953 -1.312898


