%chk=000047078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047078

0 1
 O    2.025400      0.1821000      0.1293000    
 O   -5.110100     -0.7817000      0.3740000    
 O    5.499600      0.5311000     -1.6000001E-02
 O    3.898900       1.980200      0.4033000    
 N  -0.9305000      0.1848000     -0.2516000    
 N  -0.9031000      -1.899300      0.4145000    
 N   -3.288300      0.6065000     -0.2085000    
 N   -2.215200      -1.471400      0.3763000    
 N    4.271200      0.8035000      0.1218000    
 C  -0.4946000       1.486600     -0.7011000    
 C  -0.1545000     -0.8928000      3.5200000E-02
 C   -2.210900     -0.2202000     -2.5000000E-02
 C    1.261200     -0.9247000     -6.4499997E-02
 C  -0.2208000       2.432300      0.4555000    
 C    2.051100      -2.012600     -0.3547000    
 C    3.386500      -1.544000     -0.3383000    
 C    3.317400     -0.2032000     -3.9099999E-02
 C   -4.640300      0.2863000     -3.7000000E-03
 C   -5.542900       1.456400     -0.3074000    
 H   0.3975000       1.363500      -1.323400    
 H   -1.256900       1.904400      -1.366500    
 H   -1.132600       2.617100       1.033700    
 H   0.1406000       3.394400      7.9200000E-02
 H   0.5290000       2.033100       1.144900    
 H    1.717100      -3.021300     -0.5552000    
 H   -3.086900       1.554300     -0.5134000    
 H    4.283500      -2.118300     -0.5224000    
 H   -5.310100       2.286300      0.3656000    
 H   -6.587700       1.165900     -0.1661000    
 H   -5.401000       1.775300      -1.343900    


%chk=000047078-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047078

0 1
O 1.981191 0.075419 -0.438231
O -3.463831 1.185317 -1.793403
O 5.495538 0.164958 -1.130195
O 3.826390 1.693687 -1.563987
N -1.010210 0.140468 0.000238
N -0.802087 -1.829033 1.127158
N -3.479145 0.401228 0.414581
N -2.147864 -1.449690 1.159176
N 4.258977 0.564696 -1.098398
C -0.662213 1.436771 -0.652694
C -0.129020 -0.868784 0.422134
C -2.249017 -0.272107 0.477565
C 1.289222 -0.978968 0.189847
C -0.416554 2.545590 0.388375
C 2.186218 -2.006112 0.515339
C 3.482723 -1.591572 0.077436
C 3.323312 -0.331933 -0.494355
C -4.071138 1.028775 -0.698116
C -5.493329 1.518653 -0.466063
H 0.241569 1.273207 -1.256640
H -1.490956 1.685926 -1.332345
H -1.313007 2.727461 1.007528
H -0.165896 3.483627 -0.137061
H 0.428522 2.294409 1.052475
H 1.910926 -2.935030 1.008140
H -4.093466 0.160398 1.197870
H 4.421569 -2.132745 0.159291
H -6.141552 1.112523 -1.260601
H -5.515861 2.618527 -0.559175
H -5.908410 1.238935 0.516610


