%chk=000086769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086769

0 1
 O   -1.733700       1.761400      0.9007000    
 O   -1.413300      0.7845000      -1.153000    
 O   -4.669400     -0.9444000      -2.696700    
 O   -5.407400      0.5949000      -1.201400    
 O   -2.058800      -2.785300       1.004200    
 N   -3.094900      8.2500003E-02  0.2836000    
 N   -3.841100      -3.215000       2.393000    
 C  -0.6363000       2.645200      0.6449000    
 C   0.6298000       1.821600      0.4258000    
 C  -0.4574000       3.544200       1.874000    
 C   -1.043400       3.487900     -0.5729000    
 C    1.592400       2.301600     -0.4354000    
 C   0.7665000      0.6260000       1.096800    
 C    2.914600      0.3340000      3.0200001E-02
 C    2.749100       1.548300     -0.6357000    
 C    1.923400     -0.1272000      0.8965000    
 C   -3.652400     -0.9612000     -0.5394000    
 C   -2.022600      0.8675000     -9.1700003E-02
 C    4.114800     -0.4472000     -0.1768000    
 C   -4.253600      -2.100900      0.2805000    
 C   -4.659000     -0.3318000      -1.484000    
 C    4.159900      -1.399500      -1.195100    
 C    5.226900     -0.2478000      0.6413000    
 C   -3.263400      -2.732700       1.241100    
 C    5.316900      -2.152600      -1.395000    
 C    6.383800      -1.000700      0.4412000    
 C    6.428800      -1.953200     -0.5770000    
 H   -1.371600       4.116200       2.071200    
 H   0.3720000       4.248700       1.748600    
 H  -0.2668000       2.949900       2.775600    
 H  -0.9497000       2.980200      -1.537200    
 H   -2.087100       3.815200     -0.4862000    
 H  -0.4317000       4.395600     -0.6464000    
 H    1.503000       3.249300     -0.9543000    
 H   2.2299999E-02  0.2561000       1.795300    
 H    3.514000       1.924000      -1.311300    
 H    2.039000      -1.069200       1.427600    
 H   -2.829500      -1.351000      -1.153100    
 H   -3.542600      0.2891000       1.171700    
 H   -5.117700      -1.728400      0.8457000    
 H   -4.625300      -2.890600     -0.3832000    
 H    3.302000      -1.567600      -1.842000    
 H    5.208800      0.4906000       1.439600    
 H    5.352100      -2.894100      -2.187800    
 H    7.249800     -0.8456000       1.078100    
 H    7.329600      -2.539600     -0.7326000    
 H   -4.839800      -3.162300       2.565700    
 H   -3.277800      -3.653800       3.113900    
 H   -5.332400     -0.5475000      -3.300900    


%chk=000086769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086769

0 1
O -1.800139 1.741202 0.888399
O -1.660478 0.831124 -1.302890
O -5.537582 -0.943047 -2.425683
O -5.415781 1.087520 -1.299614
O -2.333620 -3.159652 -0.062563
N -3.249332 0.120688 0.269484
N -3.620568 -3.560677 1.825778
C -0.622064 2.679417 0.680505
C 0.649336 1.852597 0.436907
C -0.543546 3.390544 2.049218
C -0.970343 3.679507 -0.438774
C 1.659363 2.274430 -0.460186
C 0.869930 0.664017 1.179182
C 3.071543 0.337728 0.121525
C 2.848553 1.532448 -0.613186
C 2.052276 -0.081233 1.020310
C -3.917355 -0.797524 -0.639926
C -2.183789 0.895762 -0.164762
C 4.322698 -0.454807 -0.049626
C -4.504026 -2.018063 0.108805
C -5.014265 -0.082838 -1.450381
C 4.306802 -1.874572 0.042035
C 5.566178 0.185235 -0.310784
C -3.381653 -2.944616 0.608205
C 5.490022 -2.626392 -0.119654
C 6.750025 -0.565274 -0.474670
C 6.719062 -1.976143 -0.378967
H -1.475292 3.949510 2.244527
H 0.306143 4.095221 2.054016
H -0.390816 2.657791 2.859228
H -0.984364 3.189001 -1.423976
H -1.966873 4.110975 -0.240645
H -0.241224 4.509279 -0.452274
H 1.514170 3.172839 -1.068085
H 0.098843 0.313844 1.874598
H 3.595683 1.863663 -1.343422
H 2.199474 -0.987861 1.617973
H -3.161341 -1.170402 -1.357257
H -3.681480 0.370065 1.159730
H -5.163963 -1.691286 0.936046
H -5.123313 -2.594746 -0.602490
H 3.355359 -2.393286 0.205378
H 5.609795 1.279496 -0.356733
H 5.451062 -3.719771 -0.055617
H 7.697739 -0.049678 -0.667620
H 7.637771 -2.559561 -0.506171
H -4.461146 -3.384454 2.372743
H -2.929461 -4.223933 2.176912
H -6.217216 -0.458787 -2.967851


