%chk=000087070.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087070

0 1
 O   -5.321900     -0.2683000      0.2511000    
 N    1.083200     -7.4800000E-02  6.8000001E-03
 N    2.653600      -4.664700      0.1483000    
 N    3.716300       4.000400     -0.1065000    
 C    1.661800      -1.322600      0.4636000    
 C    1.960700      0.9901000     -0.4364000    
 C  -0.3167000      9.6199997E-02 -1.8999999E-02
 C    1.623500      -2.375600     -0.6389000    
 C    2.138500       2.038600      0.6568000    
 C  -0.8643000       1.300700     -0.4603000    
 C   -1.153500     -0.9399000      0.3956000    
 C   -2.248700       1.469200     -0.4872000    
 C   -2.537900     -0.7714000      0.3689000    
 C   -3.085600      0.4331000     -7.2499998E-02
 C    2.199500      -3.654600     -0.1977000    
 C    3.020600       3.134600      0.2291000    
 C   -4.529000      0.6091000     -0.1018000    
 H    1.198700      -1.677900       1.393000    
 H    2.710700      -1.156500      0.7480000    
 H    1.628200       1.432000      -1.384300    
 H    2.948300      0.5732000     -0.6803000    
 H   0.6036000      -2.552600     -0.9953000    
 H    2.185800      -2.012000      -1.508300    
 H    1.180000       2.461000      0.9751000    
 H    2.566800       1.563700       1.548600    
 H  -0.2710000       2.141500     -0.8016000    
 H  -0.7924000      -1.897500      0.7536000    
 H   -2.661200       2.412800     -0.8352000    
 H   -3.171400      -1.591400      0.6973000    
 H   -4.902000       1.583400     -0.4612000    


%chk=000087070-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087070

0 1
O -5.501111 -0.240144 0.238465
N 1.056947 -0.076463 -0.000264
N 2.872240 -4.651534 0.222477
N 3.871250 3.961709 -0.174437
C 1.669369 -1.327442 0.470217
C 1.966922 0.987947 -0.446446
C -0.337903 0.095701 -0.024262
C 1.718331 -2.416304 -0.653873
C 2.229132 2.045533 0.678085
C -0.925604 1.330754 -0.450779
C -1.222085 -0.961602 0.378074
C -2.319783 1.489601 -0.472806
C -2.610523 -0.785186 0.357478
C -3.188659 0.442354 -0.068851
C 2.352888 -3.657709 -0.185194
C 3.133608 3.113161 0.224999
C -4.651310 0.633281 -0.095869
H 1.129039 -1.722839 1.347688
H 2.699918 -1.116033 0.805136
H 1.570112 1.490925 -1.345511
H 2.930182 0.535315 -0.739620
H 0.694468 -2.638604 -1.006336
H 2.281851 -2.026364 -1.522139
H 1.271448 2.491008 1.004102
H 2.670275 1.545694 1.560664
H -0.300830 2.169734 -0.769037
H -0.825386 -1.925539 0.709231
H -2.745731 2.444885 -0.805488
H -3.281595 -1.594317 0.666858
H -4.983259 1.642279 -0.453260


