%chk=000086106.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086106

0 1
 O    4.305200       3.168200     -0.8038000    
 O    5.892200     -0.6918000       1.252300    
 O   -4.483300       3.089500     -0.3244000    
 O   -6.289500     -0.9820000       1.019500    
 N    4.723400       1.023800      0.1113000    
 N   -5.005100      0.8484000      0.2380000    
 C  -9.2600003E-02  -1.794300      -1.167500    
 C    1.137600      -2.427800      0.9459000    
 C   0.2339000      -2.976100     -0.1930000    
 C    1.844200      -1.315300      0.2129000    
 C    1.175800     -0.9752000     -0.9750000    
 C   -1.403700      -1.088800     -0.7928000    
 C  -0.1900000      -2.317900      -2.614700    
 C   0.3264000      -1.884000       2.128300    
 C    2.091600      -3.523200       1.439400    
 C    3.010700     -0.6577000      0.5851000    
 C    1.690600      8.8000000E-03  -1.814200    
 C    3.520500      0.3356000     -0.2522000    
 C    2.867000      0.6639000      -1.446300    
 C   -1.374000      0.2175000     -0.3125000    
 C   -2.615600      -1.759500     -0.9348000    
 C   -2.565200      0.8581000      2.8500000E-02
 C   -3.806800      -1.118800     -0.5939000    
 C   -3.781700      0.1900000     -0.1123000    
 C    5.007900       2.335600     -0.2467000    
 C    5.745800      0.4593000      0.8638000    
 C    6.415400       2.634800      0.1801000    
 C    6.745900       1.537400       1.164400    
 C   -5.204200       2.220300      0.1471000    
 C   -6.134800      0.1916000      0.7097000    
 C   -6.542200       2.532700      0.7511000    
 C   -7.245200       1.196800      0.8067000    
 H  -0.6608000      -3.472700      0.2009000    
 H   0.7894000      -3.748300     -0.7470000    
 H  -0.4564000      -1.516600      -3.314700    
 H   0.7651000      -2.738600      -2.953200    
 H  -0.9389000      -3.110200      -2.719900    
 H   0.9891000      -1.491700       2.909000    
 H  -0.3434000      -1.068100       1.850900    
 H  -0.2834000      -2.675300       2.578800    
 H    1.532200      -4.374900       1.842600    
 H    2.732100      -3.895100      0.6311000    
 H    2.752400      -3.154800       2.232300    
 H    3.479700     -0.9112000       1.529300    
 H    1.189900      0.2748000      -2.739500    
 H    3.263900       1.407900      -2.130600    
 H  -0.4565000      0.7769000     -0.1692000    
 H   -2.660700      -2.781300      -1.299600    
 H   -2.504100       1.864100      0.4322000    
 H   -4.735800      -1.660100     -0.7441000    
 H    7.065400       2.593800     -0.6999000    
 H    6.483900       3.624600      0.6390000    
 H    6.604400       1.869300       2.198000    
 H    7.767700       1.171400       1.034900    
 H   -6.387300       2.946800       1.752700    
 H   -7.090100       3.253600      0.1386000    
 H   -7.917300       1.061100     -4.6799999E-02
 H   -7.806200       1.072700       1.736700    


%chk=000086106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086106

0 1
O 4.138163 3.253240 -0.374819
O 6.037680 -0.875573 0.876917
O -4.678346 2.976217 -0.889264
O -6.123583 -0.874896 1.414415
N 4.785865 1.021213 0.157335
N -5.090083 0.888043 0.186126
C -0.080053 -1.813832 -1.154824
C 1.178750 -2.519233 0.937556
C 0.205305 -3.025510 -0.183483
C 1.883997 -1.360891 0.221308
C 1.178925 -0.964587 -0.941106
C -1.384342 -1.068864 -0.773375
C -0.193827 -2.294637 -2.631289
C 0.396118 -1.988945 2.175293
C 2.157100 -3.632916 1.383398
C 3.068695 -0.705659 0.603771
C 1.670005 0.087760 -1.740390
C 3.560161 0.346568 -0.208240
C 2.868250 0.742000 -1.380502
C -1.419475 0.305162 -0.431215
C -2.616798 -1.775920 -0.785268
C -2.630934 0.953732 -0.110228
C -3.835437 -1.144905 -0.475162
C -3.844678 0.229865 -0.134311
C 4.986149 2.433692 0.043139
C 5.940129 0.356328 0.678638
C 6.403994 2.756333 0.521206
C 7.019971 1.407980 0.944399
C -5.415896 2.223058 -0.215567
C -6.145741 0.282425 0.938318
C -6.811480 2.556275 0.317019
C -7.290436 1.291487 1.056683
H -0.718854 -3.455315 0.240536
H 0.714001 -3.820611 -0.762962
H -0.375539 -1.445563 -3.314841
H 0.738366 -2.799511 -2.942781
H -1.029932 -3.006003 -2.755024
H 1.086557 -1.533872 2.909765
H -0.348150 -1.226409 1.887049
H -0.137159 -2.818932 2.675873
H 1.597430 -4.495035 1.792453
H 2.771992 -3.988542 0.536841
H 2.843922 -3.275936 2.173589
H 3.621844 -1.016447 1.493596
H 1.138175 0.400361 -2.646062
H 3.255425 1.560221 -1.991697
H -0.490429 0.882317 -0.405590
H -2.629945 -2.841271 -1.042709
H -2.630153 2.016567 0.142113
H -4.767016 -1.715147 -0.481379
H 6.952000 3.246435 -0.301849
H 6.340042 3.488061 1.344424
H 7.294591 1.370735 2.012654
H 7.923382 1.137858 0.371541
H -6.737856 3.441875 0.971413
H -7.454700 2.838688 -0.533673
H -8.199973 0.847621 0.616532
H -7.501668 1.460844 2.126209


