%chk=000279072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279072

0 1
O -6.259085 -0.273988 0.864168
O 6.495272 1.763975 -0.547619
O 4.334547 2.218027 -0.250179
N 1.423407 -0.479325 0.243578
N 2.657368 0.112078 0.089585
C -2.216381 1.681205 -0.018017
C -4.400753 -0.310216 -0.605545
C -3.212287 1.842479 -1.196944
C -2.119313 0.208069 0.371206
C -4.567995 1.184860 -0.931633
C -3.445485 -0.468356 0.593441
C -0.846594 2.236708 -0.491552
C -5.775198 -0.976441 -0.304646
C -2.694467 2.482239 1.207828
C -0.948259 -0.439346 0.560173
C 0.294691 1.769039 0.411865
C 0.353358 0.260752 0.393602
C -5.643707 -2.465777 0.039925
C -6.784466 -0.784465 -1.443740
C -0.855202 -1.882266 0.953478
C 3.778714 -0.702241 -0.065213
C 5.051428 -0.091393 -0.270248
C 3.693823 -2.125774 -0.010025
C 6.195153 -0.919220 -0.406380
C 4.829164 -2.894128 -0.148553
C 5.195949 1.352276 -0.343335
C 6.095328 -2.294076 -0.347736
H -3.957355 -0.829343 -1.488960
H -2.766896 1.404251 -2.111792
H -3.357609 2.917544 -1.411577
H -5.087495 1.684623 -0.087412
H -5.220995 1.319884 -1.813562
H -3.305771 -1.547466 0.823068
H -3.929176 -0.036019 1.499799
H -0.877008 3.341331 -0.524107
H -0.644721 1.909722 -1.531170
H -2.748584 3.553437 0.992802
H -3.695479 2.163565 1.526078
H -2.022190 2.344876 2.061061
H 0.135045 2.113849 1.456238
H 1.247224 2.238647 0.089359
H -5.106445 -3.014162 -0.740633
H -6.618746 -2.947119 0.162636
H -5.097940 -2.604248 0.981777
H -7.066909 0.271249 -1.543726
H -6.375386 -1.112489 -2.404755
H -7.707700 -1.347134 -1.274877
H -1.840198 -2.356776 1.068886
H -0.314241 -1.996112 1.903600
H -0.295609 -2.456917 0.199032
H -7.126890 -0.610924 1.143597
H 2.756888 1.150840 0.024955
H 2.716659 -2.588204 0.143302
H 7.165373 -0.435564 -0.560874
H 4.760287 -3.982848 -0.105276
H 6.975934 -2.921324 -0.452907
H 6.561725 2.757036 -0.593147


%chk=000279072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279072

0 1
O -6.159461 -0.329107 1.316490
O 6.490615 2.011918 -0.102688
O 4.190236 2.240039 -0.162342
N 1.493130 -0.639030 0.016565
N 2.708995 0.024734 -0.018800
C -2.179716 1.604018 -0.220007
C -4.621719 -0.228388 -0.554289
C -3.399538 1.926114 -1.139576
C -2.104362 0.087984 0.016796
C -4.733193 1.310761 -0.674507
C -3.417158 -0.599310 0.361581
C -0.904393 2.097972 -0.949038
C -5.946986 -0.888847 -0.051456
C -2.338121 2.341951 1.145778
C -0.907400 -0.609316 0.022765
C 0.398441 1.605186 -0.297625
C 0.384993 0.094429 -0.105347
C -5.833632 -2.429269 0.045380
C -7.153960 -0.510660 -0.942283
C -0.855658 -2.118913 0.248151
C 3.895845 -0.689999 0.067100
C 5.162839 0.006600 0.038754
C 3.895162 -2.113637 0.183842
C 6.373588 -0.742125 0.126492
C 5.103888 -2.816571 0.269123
C 5.200516 1.464135 -0.080445
C 6.356163 -2.138302 0.240880
H -4.428578 -0.641401 -1.568739
H -3.173375 1.550284 -2.159814
H -3.498251 3.027894 -1.220471
H -5.046952 1.722860 0.302475
H -5.517053 1.586734 -1.404632
H -3.272919 -1.690751 0.363849
H -3.712148 -0.324066 1.396654
H -0.907385 3.204857 -0.993324
H -0.932743 1.730572 -1.994309
H -2.422597 3.433633 0.982759
H -3.240403 2.008874 1.687081
H -1.470849 2.156336 1.804444
H 0.556982 2.098304 0.684229
H 1.251825 1.912125 -0.934490
H -5.528828 -2.868916 -0.922502
H -6.809814 -2.873110 0.321257
H -5.099477 -2.726739 0.811887
H -7.363430 0.569893 -0.885143
H -6.970701 -0.778272 -1.999646
H -8.062338 -1.051027 -0.612572
H -1.500612 -2.658571 -0.469251
H -1.189735 -2.389919 1.267548
H 0.177521 -2.474684 0.126743
H -6.986249 -0.725462 1.692516
H 2.807269 1.055801 -0.089045
H 2.931149 -2.625525 0.204987
H 7.318651 -0.192517 0.101965
H 5.080631 -3.908934 0.358792
H 7.292399 -2.700890 0.307628
H 6.403695 2.999156 -0.183271


