%chk=000086771.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086771

0 1
 O   -4.725600      -3.253200      -1.248900    
 O    4.723400      -3.254200       1.248800    
 N   -4.748700     -0.1846000      0.4769000    
 N    4.747000     -0.1855000     -0.4768000    
 C   -4.237300      -1.915800      -1.136500    
 C    4.235200      -1.916700       1.136500    
 C   -3.741200      -3.002000     -0.2376000    
 C    3.738900      -3.002800      0.2375000    
 C   -5.254000     -0.9320000     -0.6575000    
 C    5.252100     -0.9330000      0.6576000    
 C   -3.571700      0.5837000      0.3588000    
 C    3.570100      0.5831000     -0.3586000    
 C   -5.475600     -0.2255000       1.730000    
 C    5.474000     -0.2264000      -1.729800    
 C  -5.0000002E-04   2.917400      1.9999999E-04
 C   -1.244700       2.104600      0.1251000    
 C    1.263600       2.091200     -0.1267000    
 C   -2.869100      0.9640000       1.502200    
 C    2.867700      0.9636000      -1.502000    
 C   -3.110600      0.9639000     -0.9015000    
 C    3.109200      0.9632000      0.9017000    
 C   -1.705600       1.724600       1.385400    
 C    1.704300       1.724300      -1.385100    
 C   -1.947100       1.724200      -1.018500    
 C    1.945900       1.723700       1.018800    
 H   -3.601900      -1.561900      -1.935200    
 H    3.599900      -1.562800       1.935200    
 H   -2.743200      -3.386000     -0.4055000    
 H   -4.069300      -3.030600      0.7931000    
 H    2.741000      -3.386600      0.4054000    
 H    4.066900      -3.031400     -0.7932000    
 H   -5.558400     -0.2616000      -1.470200    
 H   -6.170800      -1.468500     -0.3807000    
 H    6.168800      -1.469800      0.3808000    
 H    5.556700     -0.2628000       1.470400    
 H   -6.477100     -0.6517000       1.603300    
 H   -4.952100     -0.8478000       2.463600    
 H   -5.617500      0.7797000       2.143000    
 H    6.475300     -0.6528000      -1.603200    
 H    5.616100      0.7787000      -2.142800    
 H    4.950300     -0.8486000      -2.463500    
 H   9.1499999E-02   3.595700      0.8601000    
 H  -8.1100002E-02   3.595800     -0.8609000    
 H   -3.187600      0.6790000       2.500500    
 H    3.186100      0.6787000      -2.500300    
 H   -3.637800      0.7290000      -1.820000    
 H    3.636400      0.7283000       1.820300    
 H   -1.167000       2.012400       2.284400    
 H    1.163000       2.014200      -2.280900    
 H   -1.603600       2.021100      -2.006000    
 H    1.599200       2.022500       2.003600    


%chk=000086771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086771

0 1
O -7.393629 -0.747930 -2.466631
O 7.395164 -0.748493 2.471035
N -4.978816 -0.371443 0.517989
N 4.974565 -0.408782 -0.513403
C -6.106683 -0.795208 -1.670323
C 6.105939 -0.802757 1.678927
C -6.875598 -2.056327 -1.912712
C 6.870078 -2.063202 1.939245
C -6.149065 -0.078492 -0.321140
C 6.147952 -0.107665 0.318429
C -3.768071 0.329439 0.354750
C 3.767735 0.301067 -0.359769
C -5.049239 -1.504504 1.448042
C 5.036716 -1.559778 -1.421787
C 0.006849 2.600600 -0.019387
C -1.284039 1.790718 0.088337
C 1.292563 1.780867 -0.114294
C -2.631725 0.026554 1.169654
C 2.628208 -0.009388 -1.167377
C -3.616385 1.368045 -0.615521
C 3.623482 1.356668 0.593121
C -1.427936 0.743197 1.032355
C 1.428746 0.716338 -1.040344
C -2.403225 2.076994 -0.730174
C 2.414654 2.074543 0.697493
H -5.209248 -0.612777 -2.276304
H 5.210868 -0.606939 2.284283
H -6.527652 -2.770182 -2.669183
H -7.482603 -2.479479 -1.100930
H 6.521151 -2.763542 2.707790
H 7.473015 -2.501610 1.132565
H -6.233283 1.011281 -0.489262
H -7.068476 -0.380708 0.212832
H 7.064868 -0.422022 -0.212868
H 6.237019 0.984246 0.469045
H -6.064111 -1.933096 1.422381
H -4.332101 -2.310149 1.186928
H -4.841396 -1.189094 2.490458
H 6.049672 -1.992555 -1.390881
H 4.827359 -1.263334 -2.469425
H 4.316587 -2.356903 -1.143296
H 0.091665 3.277528 0.855515
H -0.073650 3.264073 -0.904937
H -2.686128 -0.768467 1.919128
H 2.676716 -0.817636 -1.902966
H -4.437040 1.630673 -1.290076
H 4.446622 1.625702 1.262074
H -0.575417 0.477524 1.669574
H 0.573505 0.444589 -1.671309
H -2.327924 2.871498 -1.484132
H 2.345241 2.882319 1.437783


