%chk=000058741.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058741

1 1
 O   0.5458000     -8.5400000E-02 -2.6900001E-02
 O  -0.4722000      -2.121900     -0.1715000    
 N    4.264400     -0.3959000      1.0400000E-02
 N   -1.784600     -0.1820000     -6.0199998E-02
 C    2.913100      0.3027000      5.6000002E-02
 C    4.212500      -1.657100      0.8604000    
 C    5.336500      0.5380000      0.5533000    
 C    4.595600     -0.7668000      -1.427900    
 C    1.810600     -0.7340000     -3.2600001E-02
 C    3.883000      -1.282300       2.288800    
 C    5.383300       1.789700     -0.2956000    
 C    5.939700      -1.460500      -1.466800    
 C  -0.5659000     -0.8969000     -0.1024000    
 C   -3.060700     -0.8471000     -9.5500000E-02
 C   -1.748300       1.258000      2.0700000E-02
 C   -4.164000     -0.2092000     -0.6628000    
 C   -2.333000       1.910400       1.106300    
 C   -3.194100      -2.129500      0.4369000    
 C   -1.128200       1.998100     -0.9861000    
 C   -5.400600     -0.8537000     -0.6975000    
 C   -2.297700       3.302600       1.185000    
 C   -4.430700      -2.773800      0.4021000    
 C   -1.092900       3.390300     -0.9073000    
 C   -5.533900      -2.135900     -0.1651000    
 C   -1.677600       4.042400      0.1783000    
 H    2.835700      0.9912000     -0.7938000    
 H    2.828500      0.9024000      0.9696000    
 H    5.211700      -2.102500      0.8845000    
 H    3.543700      -2.400400      0.4162000    
 H    6.298600      2.5100000E-02  0.6262000    
 H    5.049300      0.8437000       1.564500    
 H    4.558600      0.1193000      -2.067100    
 H    3.829100      -1.460500      -1.788000    
 H    1.782800      -1.419700      0.8158000    
 H    1.881700      -1.313900     -0.9582000    
 H    4.735000     -0.8240000       2.801600    
 H    3.011900     -0.6427000       2.437200    
 H    3.678700      -2.205200       2.845900    
 H    5.766700       1.616400      -1.304100    
 H    4.435500       2.329300     -0.3563000    
 H    6.091400       2.489200      0.1663000    
 H    6.778500     -0.8420000      -1.142000    
 H    5.965000      -2.420100     -0.9463000    
 H    6.156900      -1.705000      -2.514800    
 H   -4.094100      0.7802000      -1.106100    
 H   -2.812800       1.348400       1.903500    
 H   -2.385800      -2.644500      0.9443000    
 H  -0.6806000       1.507600      -1.846900    
 H   -6.259000     -0.3590000      -1.142600    
 H   -2.751500       3.810400       2.031000    
 H   -4.538900      -3.766700      0.8291000    
 H  -0.6130000       3.966700      -1.692800    
 H   -6.497300      -2.636800     -0.1901000    
 H   -1.650400       5.126400      0.2393000    


%chk=000058741-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058741

1 1
O 0.515117 -0.240946 -0.030922
O -0.521433 -2.326114 -0.239883
N 4.281726 -0.403638 0.141911
N -1.798011 -0.313188 -0.121657
C 2.822412 0.092578 0.086288
C 4.478746 -1.451493 1.275231
C 5.204933 0.813662 0.428469
C 4.636806 -1.068626 -1.219144
C 1.765817 -1.014217 -0.050342
C 4.019219 -1.014765 2.671293
C 5.232784 1.895975 -0.657431
C 6.101836 -1.484039 -1.394413
C -0.651862 -1.080267 -0.143496
C -3.139901 -0.880027 -0.212565
C -1.668202 1.140407 -0.002675
C -4.246617 0.010875 -0.200222
C -1.682441 1.738031 1.276240
C -3.370166 -2.278712 -0.310894
C -1.570593 1.928669 -1.169702
C -5.561350 -0.492350 -0.284900
C -1.582381 3.143167 1.387673
C -4.693540 -2.762610 -0.394985
C -1.470366 3.333451 -1.053066
C -5.796791 -1.881387 -0.382917
C -1.474274 3.941982 0.224565
H 2.742286 0.777548 -0.772178
H 2.630991 0.670581 1.004318
H 5.555909 -1.684242 1.282945
H 3.938892 -2.357659 0.952951
H 6.212991 0.398753 0.593853
H 4.851062 1.238517 1.381636
H 4.338763 -0.346293 -1.997004
H 3.977811 -1.948351 -1.304009
H 1.772097 -1.735253 0.786906
H 1.839389 -1.581195 -0.995599
H 4.574229 -0.145336 3.060113
H 2.938449 -0.805653 2.726943
H 4.218778 -1.853329 3.361775
H 5.609836 1.529107 -1.626288
H 4.255403 2.381494 -0.812366
H 5.928886 2.684491 -0.320513
H 6.801196 -0.632352 -1.367169
H 6.430432 -2.242656 -0.665252
H 6.197259 -1.944228 -2.393918
H -4.093165 1.089991 -0.125851
H -1.785007 1.109546 2.167185
H -2.533356 -2.976591 -0.323285
H -1.587310 1.445883 -2.152498
H -6.401725 0.209773 -0.274078
H -1.602338 3.613199 2.376629
H -4.855984 -3.843215 -0.470652
H -1.403832 3.950878 -1.955134
H -6.818707 -2.268002 -0.448633
H -1.408701 5.031679 0.312620


