%chk=000055422.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055422

0 1
 O   -3.188500      0.7562000     -0.8517000    
 O    8.829900      -1.525500      0.2367000    
 O   -9.353100       1.145400       1.265500    
 N    1.483500     -0.2281000     -1.4600000E-02
 N    4.319000      0.1168000     -9.9999998E-03
 N   -8.441700     -0.7340000      0.1721000    
 C    2.358400      -1.281300      0.5154000    
 C    2.149900      0.4629000      -1.125000    
 C    3.674300     -0.6940000       1.030700    
 C    3.459800       1.107700     -0.6651000    
 C   0.2082000     -0.7936000     -0.4534000    
 C  -0.8751000      0.2803000     -0.4536000    
 C    5.693900      0.3538000      9.8600000E-02
 C   -2.221500     -0.2844000     -0.8859000    
 C    6.587300     -0.7171000      0.1139000    
 C    6.170700       1.661300      0.1917000    
 C    7.957700     -0.4806000      0.2219000    
 C    7.541000       1.897900      0.2999000    
 C    8.434500      0.8270000      0.3150000    
 C   -4.484600      0.3881000     -0.5990000    
 C   -5.345600       1.271200      5.2600000E-02
 C   -4.942600     -0.8687000     -0.9941000    
 C    10.21720      -1.211600      0.3494000    
 C   -6.664700      0.8973000      0.3093000    
 C   -6.261600      -1.242700     -0.7372000    
 C   -7.122500     -0.3596000     -8.5600004E-02
 C   -9.443300      9.9999998E-03  0.8097000    
 C   -10.74060     -0.7545000      0.8928000    
 H    2.567400      -2.035600     -0.2555000    
 H    1.868500      -1.794600       1.351900    
 H    1.517300       1.258500      -1.532500    
 H    2.359800     -0.2364000      -1.946100    
 H    4.313200      -1.523500       1.355000    
 H    3.488100     -6.6500001E-02   1.912000    
 H    3.240500       1.929500      2.8700000E-02
 H    3.957700       1.530300      -1.546800    
 H   0.2909000      -1.274900      -1.436500    
 H  -0.1147000      -1.574600      0.2480000    
 H  -0.9741000      0.7226000      0.5465000    
 H  -0.6209000       1.111200      -1.121700    
 H   -2.153800     -0.6777000      -1.906900    
 H   -2.480500      -1.099500     -0.1976000    
 H    6.230700      -1.740800      2.8000001E-02
 H    5.503600       2.518600      0.1975000    
 H    7.911400       2.916300      0.3757000    
 H    9.485100       1.082200      0.4020000    
 H   -4.992700       2.251200      0.3621000    
 H   -4.313400      -1.574600      -1.528100    
 H    10.57070     -0.6350000     -0.5121000    
 H    10.44190     -0.7172000       1.300600    
 H    10.76440      -2.159900      0.3452000    
 H   -7.270700       1.633900      0.8178000    
 H   -6.607300      -2.223000      -1.055600    
 H   -8.698600      -1.666100     -0.1464000    
 H   -11.10420     -0.9755000     -0.1146000    
 H   -10.58640      -1.689200       1.439200    
 H   -11.49030     -0.1567000       1.418500    


%chk=000055422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055422

0 1
O -3.204521 0.449253 0.286776
O 9.075742 -1.329453 -0.023315
O -9.721836 1.545797 0.155562
N 1.632434 -0.506782 0.357197
N 4.453262 0.099952 0.005475
N -8.758761 -0.561821 -0.234311
C 2.654608 -1.582407 0.377294
C 2.076507 0.567417 -0.562964
C 4.006856 -1.029331 0.852935
C 3.430116 1.154804 -0.123019
C 0.283934 -1.034661 0.034980
C -0.838268 -0.005572 0.286897
C 5.827061 0.444838 -0.050952
C -2.222900 -0.632377 0.103701
C 6.832199 -0.561233 0.004428
C 6.252732 1.804065 -0.201677
C 8.199966 -0.227194 -0.089273
C 7.621939 2.113329 -0.303323
C 8.621644 1.116658 -0.248802
C -4.565835 0.128834 0.146776
C -5.470165 1.203099 0.330840
C -5.064378 -1.161696 -0.159064
C 10.508111 -1.056349 -0.138555
C -6.857062 1.009875 0.212334
C -6.456614 -1.356468 -0.278155
C -7.364733 -0.283619 -0.096560
C -9.839131 0.312126 -0.111715
C -11.208122 -0.333724 -0.325600
H 2.784557 -2.044358 -0.635348
H 2.324736 -2.373287 1.076737
H 1.332339 1.382474 -0.564007
H 2.171477 0.182825 -1.611744
H 4.751462 -1.839023 0.826180
H 3.902722 -0.696256 1.910906
H 3.292529 1.705423 0.836441
H 3.749015 1.877003 -0.893544
H 0.226734 -1.398188 -1.026061
H 0.115373 -1.916703 0.684860
H -0.741715 0.390969 1.313366
H -0.757009 0.850143 -0.407791
H -2.331914 -1.068435 -0.912697
H -2.403466 -1.432060 0.853214
H 6.586718 -1.622752 0.089842
H 5.527774 2.621319 -0.211431
H 7.920965 3.162431 -0.412748
H 9.677886 1.387751 -0.321900
H -5.064857 2.191585 0.567810
H -4.392566 -2.012195 -0.305155
H 10.754239 -0.587609 -1.111660
H 10.863731 -0.405232 0.684121
H 10.995669 -2.040234 -0.068001
H -7.555015 1.836698 0.352938
H -6.835000 -2.359540 -0.515790
H -8.988255 -1.533496 -0.453119
H -11.722131 0.184366 -1.153536
H -11.168266 -1.413638 -0.552843
H -11.819022 -0.184145 0.581352


