%chk=000086562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086562

0 1
 O    4.701300      -1.795000     -0.3538000    
 O    6.071000      0.1496000      3.3399999E-02
 O   -3.517600       1.235000     -0.4257000    
 O   -3.601600      -1.383000      0.3891000    
 O   -1.859300       2.055800      0.9505000    
 O   -2.012400      -2.304000      -1.003800    
 N   0.5896000      0.7567000      0.1561000    
 C    3.959300     -0.6760000     -0.1318000    
 C    4.741500      0.4344000      8.9500003E-02
 C    1.986800      0.6368000      0.1311000    
 C    2.581200     -0.6079000     -0.1177000    
 C    4.188800       1.674200      0.3371000    
 C    2.795400       1.770500      0.3569000    
 C    6.038200      -1.264400     -0.2482000    
 C  -0.3471000     -0.2105000     -3.7200000E-02
 C   -1.688100     -0.1330000     -2.4599999E-02
 C   -2.338200       1.176600      0.2497000    
 C   -2.426700      -1.396900     -0.2968000    
 C   -4.250100       2.456600     -0.2852000    
 C   -4.411500      -2.555300      0.2524000    
 C   -5.527600       2.361200      -1.091800    
 C   -5.673100      -2.381300       1.070900    
 H    2.028500      -1.520500     -0.2993000    
 H    4.808600       2.546400      0.5111000    
 H    2.337100       2.738000      0.5504000    
 H    6.563700      -1.794300      0.5546000    
 H    6.563600      -1.446400      -1.192800    
 H   0.2345000       1.689000      0.3398000    
 H   7.9099998E-02  -1.186700     -0.2306000    
 H   -4.490800       2.618200      0.7715000    
 H   -3.642000       3.291200     -0.6517000    
 H   -4.671400      -2.698100     -0.8024000    
 H   -3.854500      -3.428000      0.6114000    
 H   -6.114500       3.279900      -1.005600    
 H   -5.303500       2.182100      -2.148600    
 H   -6.137000       1.518300     -0.7492000    
 H   -6.317800      -3.260600      0.9878000    
 H   -5.428600      -2.220000       2.125900    
 H   -6.230600      -1.500400      0.7358000    


%chk=000086562-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086562

0 1
O 4.980117 -1.761891 0.044659
O 6.209969 0.302805 -0.048091
O -3.623701 1.229003 -0.044232
O -3.807076 -1.421738 0.087633
O -1.503681 2.160582 -0.085379
O -1.842124 -2.660235 0.121251
N 0.601449 0.629095 -0.028261
C 4.093794 -0.661172 0.005606
C 4.815483 0.551429 -0.048785
C 2.018588 0.542544 -0.032388
C 2.701910 -0.711647 0.015680
C 4.161556 1.783425 -0.096183
C 2.743042 1.763157 -0.087100
C 6.349781 -1.177355 0.018356
C -0.287747 -0.391966 0.019419
C -1.689968 -0.243805 0.018829
C -2.247456 1.111811 -0.039305
C -2.420984 -1.533303 0.078921
C -4.157355 2.625712 -0.104600
C -4.550656 -2.715903 0.149303
C -5.677377 2.501207 -0.094049
C -6.033812 -2.358758 0.147657
H 2.182729 -1.671032 0.058382
H 4.716396 2.723374 -0.138717
H 2.193586 2.709788 -0.123328
H 6.872151 -1.448217 0.951868
H 6.872059 -1.530733 -0.886955
H 0.136559 1.567228 -0.066008
H 0.084609 -1.420144 0.062183
H -3.769149 3.187501 0.764183
H -3.775058 3.107795 -1.022527
H -4.259999 -3.331088 -0.721746
H -4.243771 -3.255129 1.064044
H -6.136275 3.506013 -0.137035
H -6.029117 1.918022 -0.962042
H -6.022978 1.997213 0.824506
H -6.642673 -3.280297 0.194792
H -6.285615 -1.727704 1.017130
H -6.303006 -1.807385 -0.769472


