%chk=000154000.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154000

0 1
 O   -5.104100      -2.858200     -0.6453000    
 O   0.6264000       2.492100       1.234600    
 O    3.618600      0.3538000      -1.660200    
 O   -6.994800      6.8599999E-02 -0.8831000    
 O   -2.955200      -2.247500     -0.1113000    
 N   -6.306600      -2.157000     -0.8719000    
 N    3.367300       1.120800      0.4525000    
 C   -4.691900     -0.5724000     -0.4597000    
 C   -4.508800      0.1889000      0.8386000    
 C   -3.136000      0.8044000      0.9440000    
 C   -6.143300     -0.7971000     -0.7610000    
 C   -4.111100      -1.958700     -0.3735000    
 C    2.507400       3.398400      1.9500000E-02
 C   -2.926500       2.086800      0.4602000    
 C   -2.107100      7.8100003E-02   1.523700    
 C   0.9961000       3.432700      0.2274000    
 C    3.000100       2.060200     -0.4523000    
 C  -0.6126000       1.937200       1.139200    
 C   -1.657000       2.656600      0.5584000    
 C  -0.8377000      0.6480000       1.621900    
 C    3.140700       1.627700      -1.726100    
 C    3.727400      0.1234000     -0.3231000    
 C    4.220600      -1.177700      3.5100002E-02
 C    2.909300       2.185900      -3.062600    
 C    4.550500      -2.103900     -0.9585000    
 C    4.372300      -1.525500       1.380400    
 C    5.028200      -3.367300     -0.6098000    
 C    4.850100      -2.788800       1.729100    
 C    5.177900      -3.709600      0.7340000    
 H   -4.252900     -6.4999998E-02  -1.326700    
 H   -5.257300      0.9874000      0.9309000    
 H   -4.683400     -0.4634000       1.705500    
 H    3.008500       3.630400      0.9677000    
 H    2.799200       4.174400     -0.6977000    
 H   -3.734700       2.656000      9.9999998E-03
 H   -2.271500     -0.9147000       1.931000    
 H   0.5173000       3.206700     -0.7347000    
 H   0.6969000       4.435700      0.5528000    
 H   -1.531600       3.672500      0.1958000    
 H  -2.8899999E-02  8.5199997E-02   2.080000    
 H   -7.151000      -2.680300      -1.065000    
 H    3.848200       2.547800      -3.492500    
 H    2.493600       1.429200      -3.735300    
 H    2.205600       3.023100      -3.025900    
 H    4.447800      -1.875700      -2.016600    
 H    4.122800     -0.8249000       2.173800    
 H    5.283600      -4.084800      -1.384200    
 H    4.966600      -3.055800       2.775400    
 H    5.549700      -4.693300       1.005600    


%chk=000154000-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154000

0 1
O -6.773566 -2.683299 0.234997
O 0.472844 1.862850 0.849346
O 4.211683 0.445022 -1.658750
O -7.396494 0.397208 -1.506347
O -4.776628 -2.482122 1.391853
N -7.507790 -1.791832 -0.666715
N 3.843197 0.884513 0.555255
C -5.514967 -0.660029 -0.197500
C -5.157715 0.610611 0.642108
C -3.672083 0.946456 0.682771
C -6.896839 -0.567541 -0.874592
C -5.550712 -1.974045 0.576550
C 2.530574 3.064160 0.419685
C -3.191603 2.110973 0.039059
C -2.734618 0.120813 1.365047
C 1.011424 3.056888 0.184577
C 3.262938 1.915517 -0.222325
C -0.905779 1.623692 0.747451
C -1.821327 2.460316 0.062939
C -1.368885 0.451679 1.397394
C 3.486593 1.660837 -1.569562
C 4.393099 0.030914 -0.307478
C 5.123657 -1.205828 -0.049423
C 3.151624 2.352042 -2.848830
C 5.645795 -1.992194 -1.112634
C 5.314106 -1.628073 1.295824
C 6.348101 -3.181946 -0.830247
C 6.017538 -2.817662 1.568454
C 6.537582 -3.599579 0.508407
H -4.759476 -0.761159 -1.002297
H -5.709939 1.445126 0.172100
H -5.562404 0.485298 1.664095
H 2.721861 3.026142 1.505528
H 2.919630 4.032948 0.048399
H -3.896677 2.763360 -0.490836
H -3.077449 -0.790324 1.867380
H 0.772751 3.022133 -0.899078
H 0.552036 3.968419 0.620980
H -1.490967 3.372832 -0.442053
H -0.641618 -0.178117 1.918647
H -8.462922 -2.096067 -0.860459
H 4.051524 2.494038 -3.474428
H 2.420128 1.776437 -3.446619
H 2.717998 3.344865 -2.641670
H 5.496616 -1.665806 -2.146661
H 4.903487 -1.013012 2.102945
H 6.748061 -3.784502 -1.653248
H 6.160628 -3.137872 2.606329
H 7.083683 -4.524684 0.723730


