%chk=000085473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085473

0 1
 O    2.213900     -0.4127000      0.9807000    
 O    1.208400       2.156300      -1.323700    
 O    3.369700       2.329100      0.3154000    
 O    4.222800      -2.338900      0.5671000    
 N   2.7000001E-03 -0.4094000      0.1193000    
 N   -1.253400      -2.196400     -0.3323000    
 N   -1.738200       1.262200      0.3964000    
 N   -3.956100      0.2954000      7.6399997E-02
 N   -4.287000      -2.017100     -0.4424000    
 C    1.827900      0.9542000     -0.9141000    
 C    1.199500      0.3954000      0.3533000    
 C    3.266900       1.146500     -0.4778000    
 C    3.500100     -6.7199998E-02  0.4165000    
 C    4.029300      -1.273500     -0.3466000    
 C   -1.294100      2.0900000E-02  0.1486000    
 C  -2.5599999E-02  -1.747800     -0.1742000    
 C   -2.056400      -1.101500     -0.1332000    
 C   -3.437000     -0.9327000     -0.1646000    
 C   -3.087200       1.301600      0.3381000    
 C   -3.706100       2.635700      0.5970000    
 H    1.779700      0.2321000      -1.738200    
 H   0.9177000       1.187000       1.058600    
 H    3.965700       1.242000      -1.313600    
 H    4.160500      0.1628000       1.260300    
 H    4.982400      -1.053500     -0.8373000    
 H    3.316300      -1.619100      -1.100900    
 H   0.2777000       1.955700      -1.520100    
 H    4.292100       2.397300      0.6157000    
 H   0.8716000      -2.344600     -0.2654000    
 H    4.888200      -2.054200       1.216500    
 H   -3.209000       3.131000       1.436900    
 H   -3.609100       3.266400     -0.2917000    
 H   -4.768700       2.538400      0.8411000    
 H   -3.902400      -2.934700     -0.6221000    
 H   -5.286900      -1.868800     -0.4591000    


%chk=000085473-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085473

0 1
O 2.406432 -0.976722 0.557539
O 0.881292 2.286309 -0.179420
O 3.360900 2.182928 0.728127
O 4.804352 -2.266907 -0.573389
N 0.042802 -0.787075 0.502293
N -1.482687 -2.500267 0.495158
N -1.494716 1.121746 0.060344
N -3.815745 0.402003 -0.165115
N -4.486947 -1.852785 0.010957
C 1.536492 1.025113 -0.428009
C 1.297036 -0.039562 0.678897
C 3.072187 1.213511 -0.324329
C 3.602366 -0.178153 0.110190
C 4.331301 -0.948552 -0.996450
C -1.200444 -0.200504 0.267748
C -0.184102 -2.169781 0.636024
C -2.128687 -1.270374 0.268281
C -3.491168 -0.918293 0.037828
C -2.833061 1.355631 -0.149449
C -3.266167 2.780806 -0.383894
H 1.263235 0.583537 -1.409281
H 1.295176 0.455202 1.673582
H 3.506648 1.548593 -1.286896
H 4.259365 -0.038366 0.991534
H 5.173798 -0.317490 -1.357109
H 3.651827 -1.155957 -1.839808
H -0.133429 2.076274 -0.083337
H 2.591603 2.822997 0.714564
H 0.636094 -2.859255 0.813766
H 5.359695 -2.169322 0.241630
H -2.398898 3.458436 -0.390285
H -3.803287 2.862432 -1.344878
H -3.969818 3.099263 0.405686
H -4.262811 -2.835293 0.156859
H -5.444733 -1.552225 -0.158760


