%chk=000187997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187997

0 1
O 1.057127 1.409808 1.490030
O 2.836175 1.741902 0.140947
O -3.343625 0.628814 -0.837200
O -2.141066 -4.601388 0.402206
C 1.637591 -1.568030 0.454844
C 3.152694 -1.443940 0.292242
C 2.404756 -0.443747 1.186825
C 0.716966 -1.171198 -0.671283
C 1.091789 -2.694392 1.301702
C 3.762781 -1.089156 -1.005727
C 2.195958 0.973737 0.817411
C 4.870702 -0.343331 -1.153160
C 5.442095 -0.061486 -2.509106
C 5.594165 0.287297 -0.007323
C 0.630843 2.784761 1.291028
C -0.714122 2.806365 0.616092
C -1.352069 1.623122 0.230353
C -1.326091 4.049498 0.389668
C -2.608588 1.715646 -0.374433
C -2.581351 4.109567 -0.226457
C -3.243898 2.945726 -0.614151
C -2.958495 -0.661230 -0.443610
C -2.933057 -1.035728 0.904104
C -2.727508 -1.568539 -1.491028
C -2.659967 -2.367322 1.223871
C -2.461869 -2.896805 -1.176895
C -2.427811 -3.274615 0.179226
H 3.778107 -2.170182 0.840885
H 2.534002 -0.544669 2.276036
H 1.198688 -0.496856 -1.393162
H 0.360459 -2.044739 -1.230915
H -0.171173 -0.642044 -0.279771
H 0.937951 -3.597637 0.695296
H 1.755563 -2.966925 2.129338
H 0.120260 -2.419586 1.734810
H 3.253156 -1.514988 -1.870029
H 4.864636 -0.519702 -3.321471
H 6.472589 -0.431045 -2.592114
H 5.464385 1.021498 -2.701341
H 5.622423 -0.362217 0.875822
H 5.063560 1.212058 0.289695
H 6.625278 0.564631 -0.249601
H 0.579474 3.187041 2.321712
H 1.395662 3.338212 0.704293
H -0.857911 0.657859 0.393856
H -0.828541 4.969135 0.686153
H -3.049362 5.078617 -0.403701
H -4.220095 2.970294 -1.091116
H -3.124439 -0.299084 1.684580
H -2.767950 -1.223952 -2.524611
H -2.636799 -2.687587 2.261252
H -2.282734 -3.644016 -1.948487
H -2.170513 -4.831652 1.362718


%chk=000187997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187997

0 1
O 1.023623 2.087311 0.838061
O 1.381603 0.827273 -1.102172
O -4.140422 0.860266 -0.465447
O -2.612828 -4.551993 -0.838158
C 2.231901 -1.483857 0.916174
C 3.534517 -0.698032 0.683756
C 2.210493 0.065105 1.090438
C 1.509285 -2.140825 -0.256938
C 2.129339 -2.274997 2.221518
C 4.156760 -0.523539 -0.654003
C 1.524869 0.969374 0.140814
C 5.495806 -0.529350 -0.929306
C 5.986700 -0.340901 -2.355614
C 6.601107 -0.715973 0.095840
C 0.316109 3.126974 0.018456
C -1.179255 3.071117 0.246217
C -1.919107 1.946975 -0.199884
C -1.847882 4.147343 0.878700
C -3.315352 1.911410 0.004373
C -3.250741 4.106349 1.054455
C -3.992360 2.988325 0.622255
C -3.651089 -0.472933 -0.531665
C -2.880302 -1.051632 0.500843
C -4.075203 -1.247145 -1.634424
C -2.518286 -2.413641 0.416891
C -3.720725 -2.607807 -1.714477
C -2.937710 -3.189977 -0.690737
H 4.241015 -0.743164 1.521109
H 2.178656 0.431429 2.120381
H 1.522649 -1.519142 -1.164618
H 1.984378 -3.112472 -0.489320
H 0.448840 -2.325465 -0.001042
H 2.553621 -3.288743 2.090968
H 2.676066 -1.783140 3.046996
H 1.072787 -2.383982 2.533617
H 3.461271 -0.368293 -1.488595
H 5.150146 -0.205973 -3.062335
H 6.584505 -1.212386 -2.690875
H 6.648928 0.544805 -2.434008
H 6.231325 -0.841638 1.126395
H 7.289813 0.152302 0.085895
H 7.214365 -1.605328 -0.152287
H 0.739409 4.083914 0.363086
H 0.575371 2.949632 -1.040908
H -1.408881 1.123646 -0.711298
H -1.274954 5.013170 1.230032
H -3.767307 4.943071 1.536925
H -5.077114 2.929851 0.750913
H -2.570163 -0.452497 1.362467
H -4.680490 -0.775199 -2.413664
H -1.926377 -2.867390 1.222743
H -4.035563 -3.227250 -2.558895
H -2.062349 -4.867177 -0.079345


