%chk=000002984.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002984

0 1
 O    2.360000      -1.698600      0.9316000    
 O   -2.286400      -1.081100      0.7249000    
 O   -2.925600       1.652800      -1.923300    
 N    1.549500      0.4743000      0.7421000    
 N   3.7000000E-02  -1.415400      0.8311000    
 N   -1.669300       1.839300      0.5285000    
 N   0.4091000       2.646000      0.5404000    
 C  -0.8410000      0.7594000      0.6373000    
 C   0.4241000       1.280700      0.6425000    
 C    2.876800       1.076700      0.7430000    
 C  -0.1430000      -2.859900      0.9339000    
 C    1.395000     -0.9311000      0.8414000    
 C   -1.143500     -0.6321000      0.7312000    
 C    3.455300       1.211800     -0.6616000    
 C  -0.1663000      -3.541900     -0.4300000    
 C    4.860300       1.818700     -0.6629000    
 C   -3.111800       1.839200      0.4786000    
 C  -0.8702000       2.952100      0.4734000    
 C  -0.3826000      -5.053400     -0.3279000    
 C    5.434900       1.885400      -2.069400    
 C  -0.4613000      -5.697100      -1.703500    
 C   -3.650300       1.735800     -0.9326000    
 C   -5.150700       1.738200      -1.068700    
 H    3.541700      0.4474000       1.346800    
 H    2.833500       2.052500       1.241300    
 H   0.6618000      -3.285300       1.544600    
 H   -1.080500      -3.068200       1.463200    
 H    2.790100       1.831700      -1.275700    
 H    3.484200      0.2240000      -1.138900    
 H   0.7747000      -3.342100     -0.9577000    
 H  -0.9627000      -3.101200      -1.043100    
 H    4.828900       2.827000     -0.2347000    
 H    5.525100       1.217500     -3.2099999E-02
 H   -3.457400       2.782400      0.9158000    
 H   -3.493800       1.019300       1.090800    
 H   -1.273300       3.951700      0.3836000    
 H   0.4376000      -5.507900      0.2397000    
 H   -1.310200      -5.259900      0.2183000    
 H    4.807500       2.502700      -2.720300    
 H    6.437500       2.323800      -2.048600    
 H    5.510000      0.8864000      -2.510700    
 H   0.4627000      -5.532500      -2.266800    
 H  -0.6138000      -6.776700      -1.608400    
 H   -1.294700      -5.286100      -2.282100    
 H   -5.426000       1.661100      -2.124100    
 H   -5.567900      0.8830000     -0.5314000    
 H   -5.553400       2.670800     -0.6657000    


%chk=000002984-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002984

0 1
O 2.351541 -1.707575 0.955211
O -2.340740 -1.181228 0.784162
O -3.059777 2.972501 -1.710324
N 1.519276 0.472110 0.774564
N 0.015761 -1.421755 0.889800
N -1.747975 1.870955 0.540838
N 0.394134 2.672877 0.533295
C -0.894345 0.758839 0.660739
C 0.404462 1.287780 0.656862
C 2.890354 1.042596 0.730956
C -0.141172 -2.899531 0.993434
C 1.358808 -0.928395 0.873733
C -1.181669 -0.644803 0.776545
C 3.446212 1.133783 -0.706306
C -0.116239 -3.592573 -0.385775
C 4.872770 1.728120 -0.725381
C -3.207122 1.803388 0.441902
C -0.926103 2.985177 0.458124
C -0.287482 -5.122567 -0.253510
C 5.449507 1.828802 -2.153784
C -0.272084 -5.839164 -1.620628
C -3.763968 2.320333 -0.902324
C -5.220476 1.974276 -1.159961
H 3.532669 0.390755 1.346885
H 2.837210 2.046962 1.185784
H 0.683489 -3.274496 1.621984
H -1.107692 -3.081822 1.493135
H 2.772785 1.763855 -1.319149
H 3.459577 0.121894 -1.154972
H 0.844774 -3.369138 -0.887676
H -0.928576 -3.180460 -1.015372
H 4.857640 2.734849 -0.260261
H 5.540098 1.100989 -0.099842
H -3.679769 2.392304 1.253680
H -3.500071 0.745784 0.589710
H -1.311967 3.991923 0.328457
H 0.522927 -5.527921 0.385821
H -1.241192 -5.342127 0.268464
H 4.816313 2.473297 -2.791879
H 6.469113 2.255632 -2.147541
H 5.502445 0.832027 -2.630189
H 0.682732 -5.661735 -2.150260
H -0.396544 -6.931493 -1.504971
H -1.089313 -5.472114 -2.269618
H -5.641146 2.636364 -1.932140
H -5.282376 0.929069 -1.521484
H -5.825199 2.032855 -0.236938


