%chk=000021612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021612

0 1
 O  -0.8782000       3.100400      0.1026000    
 O    2.923200      -1.970100      0.8682000    
 O    4.020400     -0.9663000     -0.7243000    
 N   0.4443000       1.378600     -0.1947000    
 N   0.1574000       2.536800      0.4719000    
 N    2.434600       1.215000       1.095500    
 N    1.853900     -0.5228000     -0.4464000    
 N    2.980200      -1.171800     -7.9899997E-02
 C  -0.4585000      0.7948000      -1.207700    
 C   -1.530200     -5.6400001E-02 -0.5802000    
 C   -1.297600      -1.409700     -0.3793000    
 C   -2.735600      0.5245000     -0.2118000    
 C   -2.290600      -2.198300      0.2020000    
 C   -3.728500     -0.2641000      0.3694000    
 C    1.611600      0.6350000      0.1384000    
 C   -3.506100      -1.625400      0.5764000    
 H   9.5799997E-02  0.2124000      -1.955600    
 H  -0.9238000       1.590200      -1.806800    
 H  -0.3670000      -1.879000     -0.6799000    
 H   -2.931600       1.579100     -0.3780000    
 H   -2.119200      -3.259200      0.3591000    
 H   -4.676300      0.1811000      0.6578000    
 H   -4.280000      -2.239700       1.027400    
 H    2.239200       2.115500       1.517100    
 H    3.288500      0.7628000       1.404000    


%chk=000021612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021612

0 1
O -0.775717 3.248588 0.091070
O 3.877029 -0.830785 0.844226
O 3.121862 -2.338441 -0.692646
N 0.490908 1.394348 -0.179499
N 0.277314 2.638991 0.457189
N 2.407120 1.297837 1.217321
N 1.866297 -0.452531 -0.413134
N 3.011640 -1.235033 -0.062152
C -0.451933 0.839762 -1.202220
C -1.532950 -0.051839 -0.599948
C -1.333874 -1.453274 -0.511829
C -2.751770 0.510618 -0.140461
C -2.342777 -2.280999 0.028882
C -3.758106 -0.319281 0.401747
C 1.665354 0.714292 0.246173
C -3.555826 -1.716405 0.487726
H 0.165604 0.284655 -1.923074
H -0.897748 1.724762 -1.688478
H -0.389331 -1.884776 -0.861310
H -2.907835 1.593350 -0.210099
H -2.183821 -3.363208 0.089340
H -4.697828 0.121367 0.752715
H -4.338048 -2.359883 0.905716
H 2.104648 2.191803 1.607339
H 3.255685 0.789484 1.500608


