%chk=000169748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169748

0 1
 O   -7.287900      0.4697000       1.231500    
 O   -7.402800      0.1575000      -1.017000    
 N   -1.098500     -0.2427000      0.2845000    
 N    1.934600      0.4769000     -0.5428000    
 N    3.016000      -1.996600      6.5499999E-02
 N    5.093200      -1.025700      0.3880000    
 N    5.407400       1.335300      0.1096000    
 N    3.573600       2.693400     -0.5024000    
 N    7.199800     -4.4199999E-02  0.7154000    
 C  -0.2615000     -0.4895000     -0.8927000    
 C    1.178500     -0.6318000     -0.5484000    
 C   -2.465900     -0.1263000      0.2185000    
 C    3.236600      0.3328000     -0.2293000    
 C    3.795900     -0.9090000      7.9700001E-02
 C    1.713700      -1.854200     -0.2477000    
 C   -3.154100     -0.2402000      -1.010900    
 C   -3.238700      0.1136000       1.377400    
 C    4.099300       1.411500     -0.1951000    
 C   -5.278500      0.1163000      8.2699999E-02
 C   -4.542200     -0.1205000      -1.078000    
 C   -4.626900      0.2332000       1.310500    
 C    5.834100      9.8300003E-02  0.3881000    
 C   -6.725800      0.2423000      1.2700000E-02
 H  -0.3690000      0.3443000      -1.598200    
 H  -0.5939000      -1.398000      -1.411000    
 H  -0.6499000     -0.1449000       1.188600    
 H    1.128900      -2.766200     -0.2424000    
 H   -2.624200     -0.4215000      -1.942500    
 H   -2.747700      0.2082000       2.343900    
 H   -5.031500     -0.2138000      -2.044000    
 H   -5.161100      0.4177000       2.238200    
 H    4.215500       3.475300     -0.4641000    
 H    2.592400       2.864900     -0.3198000    
 H    7.795500      0.7720000      0.7291000    
 H    7.565700     -0.9608000      0.9334000    
 H   -8.263600      0.5525000       1.173600    


%chk=000169748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169748

0 1
O -7.500599 -0.041332 1.293054
O -7.554703 -0.114237 -1.028933
N -1.158844 -0.022308 0.277220
N 2.071845 0.694961 -0.620834
N 2.822160 -1.887728 0.404850
N 5.066200 -1.133717 0.634930
N 5.670401 1.180955 -0.016411
N 4.040867 2.655671 -0.863718
N 7.242713 -0.319166 0.826096
C -0.271765 -0.026918 -0.895843
C 1.161250 -0.301510 -0.486989
C -2.547761 -0.026542 0.204970
C 3.359499 0.407993 -0.250815
C 3.770947 -0.875551 0.270064
C 1.562989 -1.582184 0.029950
C -3.238597 -0.065664 -1.046646
C -3.316930 0.004953 1.411992
C 4.392677 1.431805 -0.374818
C -5.401376 -0.057022 0.121783
C -4.640902 -0.084202 -1.077388
C -4.715895 -0.009381 1.368643
C 5.938060 -0.094566 0.471214
C -6.872054 -0.074585 0.028234
H -0.299680 0.939779 -1.438870
H -0.612931 -0.814597 -1.598011
H -0.726006 0.131351 1.188429
H 0.817888 -2.380508 0.132857
H -2.680903 -0.069066 -1.987689
H -2.799103 0.035171 2.378772
H -5.176671 -0.113958 -2.032259
H -5.298494 0.013332 2.293881
H 4.744276 3.384401 -0.960676
H 3.066765 2.808014 -1.126107
H 7.924651 0.426926 0.718669
H 7.500956 -1.233911 1.188007
H -8.483930 -0.056859 1.146992


