%chk=000160610.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160610

0 1
 O   -5.546900     -0.7881000     -0.3175000    
 N  -0.1207000      9.7499996E-02  0.7911000    
 N    2.883600      -2.505700     -0.9267000    
 C    1.774200      -1.502300       1.061000    
 C   0.4689000     -0.9402000       1.652000    
 C   -1.492600     -0.1134000      0.4964000    
 C   0.6798000       1.232000      0.4832000    
 C    1.608400      -2.086600     -0.3548000    
 C   -1.101900      0.5034000      -1.916300    
 C  -0.6219000       1.924600      -1.671300    
 C   -2.006000      7.0799999E-02 -0.7982000    
 C   0.4480000       2.097300     -0.6138000    
 C    2.396700      -2.552300       1.988300    
 C   -2.389700     -0.5290000       1.504400    
 C    1.760900       1.573600       1.339900    
 C   -3.368400     -0.1582000      -1.061700    
 C    1.258300       3.247500     -0.7845000    
 C   -3.741500     -0.7526000       1.236300    
 C   -4.231100     -0.5679000     -4.9300000E-02
 C    2.561400       2.701500       1.142200    
 C    2.306100       3.545200      7.8500003E-02
 C    3.793900      -1.365700      -1.045000    
 C    2.680400      -3.131700      -2.234100    
 H    2.506700     -0.6993000       1.022800    
 H  -0.2009000      -1.805500       1.756200    
 H   0.6117000     -0.5656000       2.673600    
 H    1.138900      -1.355000      -1.014600    
 H   0.9273000      -2.945700     -0.2972000    
 H  -0.2748000     -0.1979000      -2.048900    
 H   -1.657900      0.4855000      -2.862500    
 H   -1.464700       2.581800      -1.418700    
 H  -0.2160000       2.282800      -2.627400    
 H    2.511500      -2.148400       3.000300    
 H    3.390600      -2.864100       1.652400    
 H    1.764100      -3.444000       2.055100    
 H   -2.048300     -0.6611000       2.529400    
 H    1.978900       1.006700       2.241800    
 H   -3.753500     -1.3700000E-02  -2.069000    
 H    1.072100       3.923800      -1.617400    
 H   -4.403500      -1.066800       2.038400    
 H    3.366300       2.924400       1.836200    
 H    2.912900       4.430800     -8.0399998E-02
 H    4.191400      -1.051100     -7.5800002E-02
 H    3.329300     -0.5064000      -1.542500    
 H    4.679200      -1.645300      -1.629500    
 H    2.022300      -4.003400      -2.145700    
 H    3.630500      -3.498500      -2.638200    
 H    2.240100      -2.438800      -2.960500    
 H   -5.710600     -0.6114000      -1.259900    


%chk=000160610-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160610

0 1
O -5.558281 -0.714023 -0.438375
N -0.051246 0.097797 0.717076
N 2.922610 -2.656532 -1.035208
C 1.912995 -1.499098 0.979549
C 0.560471 -0.981182 1.540690
C -1.450429 -0.055960 0.402942
C 0.630421 1.354874 0.604859
C 1.672855 -2.332055 -0.304018
C -0.967517 0.666011 -1.969430
C -0.530132 2.116807 -1.649811
C -1.927494 0.160640 -0.918097
C 0.412753 2.298787 -0.457481
C 2.657742 -2.330414 2.045992
C -2.361881 -0.487371 1.404306
C 1.602090 1.685033 1.601760
C -3.297314 -0.041639 -1.205533
C 1.144261 3.515126 -0.439761
C -3.720593 -0.709050 1.112434
C -4.188937 -0.481905 -0.200261
C 2.315784 2.896808 1.586445
C 2.084745 3.836198 0.558711
C 3.477716 -1.499205 -1.766074
C 2.769329 -3.831012 -1.917703
H 2.537511 -0.622822 0.722760
H -0.155750 -1.822140 1.547929
H 0.691281 -0.674894 2.601065
H 0.943143 -1.792395 -0.961304
H 1.196696 -3.289725 -0.011771
H -0.070778 0.016905 -2.015648
H -1.447376 0.645411 -2.965255
H -1.446227 2.723313 -1.495470
H -0.025985 2.543313 -2.538896
H 2.975013 -1.705727 2.902450
H 3.553734 -2.791624 1.595716
H 2.014673 -3.143160 2.438492
H -2.006318 -0.634348 2.429713
H 1.786832 0.989457 2.424131
H -3.659128 0.132410 -2.228574
H 0.970350 4.225812 -1.258535
H -4.424807 -1.037504 1.882145
H 3.042604 3.104424 2.380051
H 2.628841 4.785796 0.527755
H 3.665398 -0.658879 -1.076947
H 2.797759 -1.129895 -2.577884
H 4.441467 -1.779937 -2.227457
H 2.432967 -4.700999 -1.326082
H 3.744341 -4.083208 -2.372973
H 2.034671 -3.672718 -2.749077
H -5.787358 -0.522003 -1.381245


