%chk=000058053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058053

0 1
 O  -0.9869000       1.426800      0.4981000    
 O    3.384800       1.029800      0.7411000    
 O   0.3515000       1.569400      -1.349000    
 N   -4.112800     -0.4294000     -9.6500002E-02
 N    1.025300       2.561800      0.6433000    
 C   -4.915700      -1.320300      0.7632000    
 C   -5.868600      -2.160100     -0.1088000    
 C   -4.925200      0.4564000     -0.9377000    
 C   -6.740800      -1.298900      -1.017600    
 C   -5.877100     -0.3416000      -1.829000    
 C   -3.105900      0.3267000      0.6429000    
 C   -5.680800     -0.6208000       1.897500    
 C   -1.931600      0.6789000     -0.2562000    
 C    2.285600       3.085400      0.1363000    
 C   0.1475000       1.831700     -0.1648000    
 C    3.189200       1.946100     -0.3303000    
 C    2.021600       4.074100     -0.9921000    
 C   0.7319000       2.844100       2.045000    
 C    3.600100     -0.2794000      0.4008000    
 C    4.226400     -0.5923000     -0.8056000    
 C    3.193100      -1.299600       1.260500    
 C    4.445800      -1.925500      -1.152300    
 C    3.412400      -2.632700      0.9138000    
 C    4.038800      -2.945800     -0.2925000    
 C    5.114300      -2.260900      -2.442300    
 C    2.977400      -3.724100       1.832400    
 H   -4.228400      -2.034400       1.236800    
 H   -5.274200      -2.841300     -0.7324000    
 H   -6.505200      -2.793000      0.5209000    
 H   -5.498600       1.165600     -0.3280000    
 H   -4.296600       1.055900      -1.604200    
 H   -7.321500      -1.938600      -1.691700    
 H   -7.462600     -0.7309000     -0.4195000    
 H   -6.517800      0.3444000      -2.394700    
 H   -5.295300     -0.9125000      -2.564100    
 H   -2.703600     -0.2719000       1.471600    
 H   -3.521900       1.229600       1.108900    
 H   -6.391900      0.1234000       1.527400    
 H   -6.245800      -1.354200       2.483700    
 H   -4.996300     -0.1172000       2.587800    
 H   -1.454700     -0.2362000     -0.6287000    
 H   -2.245300       1.287400      -1.110200    
 H    2.786500       3.612800      0.9582000    
 H    4.165300       2.354900     -0.6198000    
 H    2.751600       1.460500      -1.209900    
 H    1.319700       4.852400     -0.6727000    
 H    2.953900       4.568300      -1.287000    
 H    1.609900       3.603200      -1.889500    
 H   0.7080000       3.929300       2.183500    
 H  -0.2227000       2.430900       2.375300    
 H    1.527900       2.415500       2.661500    
 H    4.581300      0.1799000      -1.482500    
 H    2.706400      -1.048100       2.199700    
 H    4.209000      -3.985500     -0.5618000    
 H    5.595200      -3.244100      -2.399400    
 H    5.896900      -1.532100      -2.679100    
 H    4.380800      -2.267900      -3.254700    
 H    2.675600      -4.614800       1.270900    
 H    2.114200      -3.416700       2.432400    
 H    3.794700      -3.994300       2.508100    


%chk=000058053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058053

0 1
O -1.341788 1.362914 0.547560
O 3.222167 0.636888 0.667878
O -0.030316 1.685399 -1.374315
N -4.704151 -0.098057 -0.184509
N 0.778331 2.257808 0.757563
C -5.566802 -0.965277 0.675762
C -6.453256 -1.852668 -0.235703
C -5.465090 0.760291 -1.127373
C -7.281264 -1.015674 -1.237669
C -6.348877 -0.096434 -2.058512
C -3.634690 0.612900 0.549112
C -6.404269 -0.186870 1.734036
C -2.372189 0.728734 -0.317334
C 2.091841 2.724485 0.225520
C -0.166458 1.768496 -0.117812
C 2.889804 1.576762 -0.417342
C 1.951753 3.924033 -0.738233
C 0.625891 2.211297 2.224212
C 3.907887 -0.543034 0.327087
C 4.311079 -0.877126 -0.984659
C 4.188077 -1.412009 1.411795
C 5.001551 -2.096848 -1.219045
C 4.874406 -2.623166 1.191983
C 5.276820 -2.955363 -0.132160
C 5.429341 -2.459908 -2.631993
C 5.183096 -3.562650 2.346130
H -4.875804 -1.635763 1.225721
H -5.788649 -2.533585 -0.802180
H -7.116695 -2.477975 0.392648
H -6.106350 1.506175 -0.590370
H -4.743439 1.340767 -1.731073
H -7.850847 -1.685152 -1.909902
H -8.028333 -0.400417 -0.696977
H -6.937114 0.567261 -2.721593
H -5.691450 -0.715586 -2.699210
H -3.376616 0.030964 1.453585
H -3.937726 1.630466 0.893715
H -7.141635 0.487778 1.264547
H -6.956442 -0.894837 2.379429
H -5.752012 0.423725 2.385339
H -2.021812 -0.269568 -0.632518
H -2.520819 1.349632 -1.217950
H 2.661553 3.051281 1.115665
H 3.822779 1.975167 -0.866664
H 2.285664 1.078269 -1.197442
H 1.374604 4.731631 -0.254913
H 2.949519 4.322446 -0.998909
H 1.429881 3.627634 -1.662274
H 0.739147 3.224199 2.655928
H -0.371095 1.827371 2.476392
H 1.395388 1.547555 2.659559
H 4.096012 -0.214648 -1.829304
H 3.858988 -1.121508 2.415086
H 5.809720 -3.897567 -0.311870
H 5.953127 -3.430812 -2.657610
H 6.110619 -1.697488 -3.055086
H 4.557292 -2.528673 -3.309501
H 4.766663 -4.571067 2.163370
H 4.763128 -3.190239 3.296122
H 6.274660 -3.682261 2.483261


