%chk=000160043.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160043

0 1
 O  -0.9102000       2.760200       1.837300    
 N   0.1661000       2.877100     -0.2132000    
 N    4.061200      0.9403000      0.1657000    
 N  -0.8163000     -0.3231000      0.5274000    
 N    6.131700      -1.777500      -1.323500    
 C    2.454600       2.745200      0.7140000    
 C    2.979500       1.773000     -0.3463000    
 C    1.308700       3.637100      0.2402000    
 C   -1.879900      0.3094000     -4.9000001E-03
 C   -1.950500       1.699700      2.3200000E-02
 C   -2.941200     -0.3942000     -0.5990000    
 C   -1.762300      -2.452200     -7.3299997E-02
 C  -0.8795000       2.485100      0.6272000    
 C    4.549900      3.2699998E-02 -0.8627000    
 C   -2.864200      -1.790400     -0.6243000    
 C  -0.7472000      -1.668100      0.5005000    
 C   -3.037700       2.389700     -0.5189000    
 C   -4.036600      0.2969000      -1.145500    
 C   -4.083000       1.687200      -1.104600    
 C    5.654200     -0.8560000     -0.2982000    
 C   -1.659000      -3.854100     -8.4899999E-02
 C   0.3523000      -2.321200       1.050800    
 C  -0.5492000      -4.482600      0.4720000    
 C   0.4584000      -3.714200       1.041000    
 H    2.117500       2.171400       1.587400    
 H    3.276000       3.387000       1.056700    
 H    2.158300       1.132800     -0.6905000    
 H    3.331500       2.353100      -1.208100    
 H    1.635800       4.259000     -0.5996000    
 H   0.9971000       4.302600       1.052500    
 H    3.732100      0.4077000      0.9705000    
 H   0.1336000       2.609300      -1.192900    
 H    4.941300      0.6073000      -1.711600    
 H    3.730000     -0.5963000      -1.232700    
 H   -3.669500      -2.367400      -1.077300    
 H   -3.076800       3.475700     -0.4880000    
 H   -4.859700     -0.2450000      -1.606100    
 H   -4.930300       2.218300      -1.527300    
 H    6.492100     -0.2462000      5.8699999E-02
 H    5.279600      -1.437800      0.5516000    
 H   -2.443200      -4.463700     -0.5282000    
 H    1.155700      -1.740800       1.501300    
 H  -0.4718000      -5.565300      0.4616000    
 H    1.329000      -4.194500       1.477900    
 H    6.513200      -1.250500      -2.108100    
 H    6.902000      -2.329700     -0.9490000    


%chk=000160043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160043

0 1
O -1.248143 4.115448 0.170932
N 0.137648 2.379884 -0.564976
N 4.249246 1.033633 0.534024
N -0.902503 -0.105049 -0.620395
N 6.690958 -1.853595 0.731881
C 2.531440 2.782231 0.091020
C 3.102453 1.409969 -0.318906
C 1.321023 3.227007 -0.762281
C -2.086728 0.443271 -0.191801
C -2.184553 1.872904 0.060022
C -3.270395 -0.392033 0.023703
C -1.945547 -2.351242 -0.656703
C -1.056164 2.882793 -0.106328
C 4.857046 -0.273110 0.201836
C -3.164194 -1.782187 -0.220086
C -0.812193 -1.453049 -0.847097
C -3.405376 2.395425 0.498001
C -4.497315 0.207048 0.473026
C -4.560696 1.576345 0.705371
C 6.073909 -0.563853 1.102898
C -1.778100 -3.757041 -0.914940
C 0.443181 -2.002512 -1.283058
C -0.549666 -4.254786 -1.337708
C 0.569240 -3.368338 -1.521238
H 2.226010 2.760257 1.156593
H 3.335730 3.536739 -0.003008
H 2.286123 0.640877 -0.293911
H 3.459921 1.461902 -1.367941
H 1.605938 3.221362 -1.835304
H 1.024382 4.256974 -0.498956
H 3.994809 1.084047 1.531845
H 0.147141 1.350945 -0.739666
H 5.190920 -0.231971 -0.855992
H 4.147489 -1.133220 0.281830
H -4.040728 -2.424111 -0.065678
H -3.439118 3.475324 0.680298
H -5.373696 -0.433601 0.628009
H -5.492061 2.038584 1.048420
H 6.760221 0.312915 1.049563
H 5.732523 -0.642548 2.154452
H -2.633720 -4.427742 -0.771409
H 1.285994 -1.316739 -1.416281
H -0.424318 -5.325155 -1.532496
H 1.530120 -3.779455 -1.849413
H 7.128946 -1.853672 -0.194542
H 7.306105 -2.253874 1.445193


