%chk=000203441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203441

0 1
O 3.735207 0.340411 -1.865211
O 5.492979 -0.047373 1.035088
O -6.044741 0.731172 -1.033425
C 1.383383 -0.904473 -0.366087
C 2.283803 0.265732 0.145210
C -0.006721 -0.844928 0.281701
C -0.675884 0.486608 -0.159217
C -2.114003 0.635435 0.438703
C 3.657437 -0.124078 -0.507519
C 1.658078 1.580158 -0.341849
C 0.213841 1.705553 0.173779
C 2.255895 -2.156632 -0.172432
C -0.877829 -2.030112 -0.154282
C 3.693838 -1.672558 -0.460943
C -2.275714 -1.945111 0.485682
C -2.941300 -0.623905 0.145901
C 2.457260 0.283448 1.669258
C -2.762976 1.880471 -0.229863
C -2.090144 0.818371 1.966674
C 4.882600 0.535265 0.168048
C -4.271448 1.964155 -0.019954
C -4.206695 -0.556011 -0.296066
C -3.092758 -3.182110 0.099963
C -4.947010 0.702437 -0.516978
C 5.235590 1.905599 -0.307965
H 1.238656 -0.773000 -1.470406
H 0.099558 -0.857090 1.393572
H -0.791329 0.446704 -1.272713
H 1.684793 1.628960 -1.447662
H 2.253073 2.447026 0.000284
H 0.234182 1.864207 1.270117
H -0.236475 2.621711 -0.254642
H 1.958653 -2.974723 -0.846252
H 2.171041 -2.552308 0.854186
H -0.393957 -2.982454 0.134278
H -0.969302 -2.063953 -1.256706
H 4.395058 -2.016847 0.325435
H 4.084250 -2.077430 -1.408869
H -2.156654 -1.954807 1.604592
H 3.049448 -0.569579 2.027538
H 2.965781 1.191832 2.009870
H 1.489620 0.239896 2.183826
H -2.553114 1.864829 -1.319233
H -2.285908 2.801916 0.156246
H -1.518626 0.025783 2.462440
H -1.634395 1.773586 2.250366
H -3.103745 0.806926 2.384670
H -4.692901 2.849330 -0.537925
H -4.521771 2.106238 1.050943
H 3.094972 -0.142311 -2.428528
H -4.799800 -1.445798 -0.519410
H -3.276286 -3.231134 -0.980288
H -2.573305 -4.104254 0.384761
H -4.068488 -3.194734 0.601154
H 5.285255 1.935698 -1.411984
H 4.475759 2.642655 -0.015261
H 6.203769 2.238905 0.089384


%chk=000203441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203441

0 1
O 3.596112 0.271761 -1.973439
O 5.548660 0.158088 0.982746
O -6.085268 0.752317 -1.250481
C 1.408994 -0.897634 -0.241005
C 2.327855 0.278495 0.229089
C -0.010143 -0.854239 0.366128
C -0.674692 0.506153 -0.012211
C -2.164174 0.645677 0.509237
C 3.669070 -0.111432 -0.543787
C 1.668685 1.614467 -0.183762
C 0.223407 1.715871 0.375959
C 2.287176 -2.158126 -0.049124
C -0.874965 -2.028676 -0.134524
C 3.737243 -1.665333 -0.377328
C -2.327104 -1.964732 0.416060
C -2.962754 -0.611516 0.094954
C 2.584743 0.251493 1.760149
C -2.786923 1.918873 -0.148517
C -2.222572 0.778010 2.065228
C 4.919528 0.618195 -0.008490
C -4.324844 1.983066 -0.069573
C -4.202341 -0.526022 -0.489264
C -3.139260 -3.197060 -0.031364
C -4.954600 0.731687 -0.672873
C 5.342293 1.898647 -0.701892
H 1.254866 -0.762812 -1.341003
H 0.070264 -0.934588 1.470798
H -0.749435 0.502142 -1.125445
H 1.651031 1.689209 -1.288679
H 2.258049 2.476545 0.186821
H 0.268130 1.810772 1.477410
H -0.226503 2.652309 -0.001365
H 1.974107 -2.991464 -0.702255
H 2.219432 -2.519284 0.994245
H -0.421922 -2.991604 0.170239
H -0.907221 -2.022013 -1.244933
H 4.446297 -1.913447 0.430219
H 4.132651 -2.108024 -1.309155
H -2.239946 -2.009878 1.525736
H 3.157820 -0.634805 2.078045
H 3.168701 1.136455 2.069914
H 1.638397 0.266284 2.326054
H -2.489789 1.941746 -1.216998
H -2.360535 2.823228 0.323241
H -1.695507 -0.048411 2.573379
H -1.761604 1.725631 2.395392
H -3.268826 0.771280 2.419352
H -4.722415 2.871199 -0.591547
H -4.659257 2.057974 0.985493
H 2.861269 -0.238908 -2.397605
H -4.737293 -1.426798 -0.808554
H -3.265588 -3.220378 -1.129788
H -2.609808 -4.120695 0.265480
H -4.142416 -3.223329 0.430158
H 5.697179 1.661338 -1.721428
H 4.482478 2.578270 -0.836735
H 6.143771 2.387328 -0.126401


