46 Coordinates from ORCA-job 14047_4 5b ORCA 5.0 E -1971.359892075530 RKS B3LYP/G verytightOPT FREQ def2-TZVPP no imaginary modes S 3.54568817201607 3.20898130140506 7.93666441630596 O -0.95473495302781 2.67821609289868 -0.73915414992086 O 0.42023087215243 0.88996446014637 -0.36310280979655 F 2.99977398520433 9.05718073505790 4.90393445137971 O 4.32833476816772 5.02922915021570 9.83682633729936 F 1.02769876991229 8.24423400669087 4.52311268391817 O 1.84002866805810 2.97184826720363 4.59683904547664 N 2.92879767742886 2.50054737779309 6.55494937753147 F 1.42652022922496 9.31665378215511 6.36925943579392 N 1.84361886977532 2.59523040653564 2.36774957246219 O 3.46299177940608 3.91329009708473 3.30743534232980 O 4.15310942456372 7.19131042642488 9.88487659730906 C 2.46946680205338 3.38656983388344 5.73737107518760 C 1.94767518484745 8.44206347980028 5.48526031823435 C 2.96511045971295 7.21484613934680 7.41394980871897 H 3.12096961129365 8.15783460873651 7.91586002898826 N 3.99693944056644 6.10727201514848 9.35169752153768 C 2.56587450040998 4.76327444350379 6.15454829981285 C 3.36913232744581 6.05271191977486 8.03512259362393 C 1.27189763658227 3.13746405501379 0.03447956024455 H 0.93334439658481 4.15140093996228 0.25464139261902 H 1.65841268052102 3.12994705508866 -0.98505243351408 C 0.71731135848376 1.66903385933537 2.50534316092027 H 0.37952660983257 1.66228183998410 3.53443438632547 H 1.06173961768276 0.66155113689354 2.25557545834365 C -0.41656466720778 2.07173974094974 1.56128319638207 H -1.21506915130149 1.33093645920920 1.60866750044169 H -0.82819951125181 3.03519799520413 1.86641135879009 C 2.48008175992222 3.21444731629953 3.38189340050050 C -2.06240197642587 2.06915239824907 -2.79165519671029 H -1.30299143906059 2.58221769792550 -3.38189101539154 H -2.88203042200491 2.76227462098053 -2.60610493374186 H -2.45296079006786 1.23261191566809 -3.37336192112940 C 2.37483041849756 2.72517545847224 1.00970629660456 H 2.79367628027334 1.76264030385916 0.70354367893060 H 3.17756763099247 3.45489843971370 1.02877067753453 C 2.35390856552423 7.15304585408571 6.15497917877428 C -1.48032208610412 1.57378999032961 -1.48696976657705 H -2.25622993606346 1.07208093351146 -0.89593365299705 C 3.17679311339710 4.81048972419102 7.42252746959008 C 2.15616309023855 5.93738102775001 5.52068988283014 H 1.69378745021562 5.89705870483505 4.54625307071793 C -0.25727023787785 0.67324366165394 -1.59608552933917 H -0.49751851892551 -0.38599822810818 -1.67573886989716 H 0.37193464257682 0.96552492194123 -2.44441383631808 C 0.07090689575409 2.19715363319465 0.11631753987290