%chk=000058581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058581

0 1
 O   0.2863000      0.1980000       1.725100    
 N  -0.9649000     -0.6594000     -3.4499999E-02
 N    2.562800     -5.3800002E-02  0.2106000    
 C   -3.381100      -1.175500     -9.0099998E-02
 C   -3.996700      0.8248000     -0.8525000    
 C   -3.716700     -0.5535000      -1.448300    
 C   -2.263800     -0.2481000      0.4331000    
 C   -2.674800       1.129100     -0.1222000    
 C   -4.666600     -0.8841000      0.7046000    
 C   -5.082100      0.5025000      0.1894000    
 C   0.2144000     -0.4013000      0.6545000    
 C    1.430700     -0.9203000     -8.4600002E-02
 C    2.288400       1.320000     -0.2171000    
 C    3.778500     -0.5519000     -0.4370000    
 C    3.466600       2.227500      0.1279000    
 C    4.124500      -1.944100      8.5000001E-02
 C    3.197600       3.665900     -0.2870000    
 C    5.396800      -2.475900     -0.5568000    
 H   -3.115500      -2.234900     -0.1167000    
 H   -4.290000       1.597700      -1.565400    
 H   -2.878600     -0.5574000      -2.152500    
 H   -4.594400      -1.004400      -1.923400    
 H   -2.242400     -0.2301000       1.529000    
 H   -2.809700       1.865300      0.6771000    
 H   -1.930100       1.522200     -0.8245000    
 H   -5.443800      -1.620700      0.4707000    
 H   -4.505700     -0.8908000       1.787200    
 H   -5.126300       1.244000      0.9933000    
 H   -6.070400      0.4482000     -0.2807000    
 H  -0.9131000      -1.126900     -0.9349000    
 H    1.236100     -0.9805000      -1.162300    
 H    1.555500      -1.935400      0.3032000    
 H    2.099000       1.360000      -1.298500    
 H    1.406000       1.743700      0.2721000    
 H    4.653000      5.5799998E-02 -0.1943000    
 H    3.673900     -0.5684000      -1.529700    
 H    3.675000       2.193800       1.203900    
 H    4.382200       1.951100     -0.4011000    
 H    4.250100      -1.924400       1.174400    
 H    3.347600      -2.678300     -0.1458000    
 H    3.026400       3.739000      -1.365900    
 H    2.318000       4.064900      0.2283000    
 H    4.053300       4.300600     -3.5300002E-02
 H    5.289600      -2.545100      -1.644100    
 H    6.249800      -1.826300     -0.3358000    
 H    5.625800      -3.475600     -0.1741000    


%chk=000058581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058581

0 1
O 0.144415 -0.657882 1.510660
N -0.944425 -0.138788 -0.481664
N 2.598248 -0.139947 -0.196890
C -3.264275 -1.028054 0.086195
C -4.372949 0.644074 -1.003497
C -3.938206 -0.821587 -1.300452
C -2.246385 0.163709 0.138348
C -3.009790 1.301414 -0.634930
C -4.430654 -0.683041 1.059312
C -5.202155 0.464165 0.305000
C 0.162124 -0.550785 0.249560
C 1.401208 -0.883123 -0.611108
C 2.504691 1.321580 -0.431383
C 3.862486 -0.764966 -0.652667
C 3.351241 2.147962 0.560877
C 4.268855 -1.995374 0.187663
C 3.224611 3.665543 0.307275
C 5.578632 -2.637197 -0.319092
H -2.787122 -2.001693 0.277829
H -4.913657 1.167341 -1.809112
H -3.238006 -0.908985 -2.152736
H -4.792337 -1.500086 -1.475118
H -2.023134 0.425845 1.186697
H -3.132660 2.210821 -0.020765
H -2.451360 1.594648 -1.545053
H -5.077308 -1.564812 1.216657
H -4.055733 -0.366100 2.049176
H -5.250911 1.399667 0.890975
H -6.240214 0.163465 0.073118
H -0.863248 -0.079402 -1.499172
H 1.154513 -0.732622 -1.699642
H 1.596919 -1.963300 -0.478792
H 2.789400 1.592978 -1.482139
H 1.445406 1.617881 -0.305812
H 4.664699 -0.008862 -0.571502
H 3.815745 -1.055195 -1.735629
H 3.019569 1.895182 1.584498
H 4.415918 1.850337 0.490543
H 4.372814 -1.676164 1.241146
H 3.458063 -2.749687 0.172593
H 3.562973 3.933293 -0.712145
H 2.174840 3.999522 0.411787
H 3.833485 4.242023 1.026945
H 5.479202 -2.976536 -1.368072
H 6.417905 -1.916843 -0.278530
H 5.857769 -3.513421 0.293348


