8 PreMIN X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.73881935 C 0.0000000000 -0.0884546211 -1.3495001728 P 0.0000000000 0.0386996247 2.1113193103 H 0.0000000000 0.8981326307 -0.8964985536 H 0.8884456671 -0.6363856318 -1.0491145639 H -0.8884456671 -0.6363856318 -1.0491145639 H -1.0322256863 -0.3290972147 3.0287508240 H 1.0322256863 -0.3290972147 3.0287508240 F 0.0000000000 0.0476244936 -2.7514809227 8 PreMIN X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.72893074 C 0.0000000000 0.0352504864 -0.6263727531 P 0.0000000000 0.0539912459 2.8912236814 H 0.0000000000 1.0702348447 -0.3106661478 H 0.8892663233 -0.4707335807 -0.2732854076 H -0.8892663233 -0.4707335807 -0.2732854076 H -1.0297038234 -0.9374294066 2.8132860098 H 1.0297038234 -0.9374294066 2.8132860098 Cl 0.0000000000 -0.0094702957 -2.4493247075 8 PreMIN X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.69281307 C 0.0000000000 0.0497234986 0.3730686831 P 0.0000000000 0.0510475342 3.7529807635 H 0.0000000000 1.0909515423 0.6624169203 H 0.8942302984 -0.4589032910 0.7052865370 H -0.8942302984 -0.4589032910 0.7052865370 H -1.0290002571 -0.9406675534 3.6792825106 H 1.0290002571 -0.9406675534 3.6792825106 Br 0.0000000000 -0.0057144803 -1.6298470035 8 FSMIN X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.71260845 C 0.0000000000 0.0740713253 -2.9061258750 Cl 0.0000000000 -0.0564594311 -1.1287198390 H 0.0000000000 1.1249343064 -3.1864813011 H 0.8896643323 -0.4117685468 -3.3003309456 H -0.8896643323 -0.4117685468 -3.3003309456 P 0.0000000000 0.0742194620 2.5352894674 H -1.0304576928 -0.7394589904 3.1050399591 H 1.0304576928 -0.7394589904 3.1050399591 8 FSMIN X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.68386516 C 0.0000000000 -0.0262148772 -2.5763979427 Br 0.0000000000 0.0078779774 -0.5546788659 H 0.0000000000 1.0004017789 -2.9365276062 H 0.8942450154 -0.5484343892 -2.9097154997 H -0.8942450154 -0.5484343892 -2.9097154997 P 0.0000000000 0.0537820473 2.5436784678 H -1.0287075437 -0.9341896808 2.6312926998 H 1.0287075437 -0.9341896808 2.6312926998 8 FSMIN X=PH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-676.82945248 C 0.0000000000 -0.0258710556 -2.6605401840 I 0.0000000000 0.0050990502 -0.3649564044 H 0.0000000000 1.0037141174 -3.0175808389 H 0.8957724609 -0.5479685721 -2.9957848791 H -0.8957724609 -0.5479685721 -2.9957848791 P 0.0000000000 0.0527051158 2.6411935651 H -1.0273668105 -0.9305514627 2.7500021244 H 1.0273668105 -0.9305514627 2.7500021244 8 WaldenTS X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.71053909 C 0.0000000000 -0.0142715079 -0.7252831963 P 0.0000000000 -0.0589936951 1.7811804586 H 0.0000000000 1.0557436646 -0.6649804115 H 0.9262591541 -0.5538309996 -0.6874857285 H -0.9262591541 -0.5538309996 -0.6874857285 H -1.0285423809 0.9184891097 1.9321133268 H 1.0285423809 0.9184891097 1.9321133268 F 0.0000000000 0.0104976389 -2.5421736289 8 WaldenTS X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.72105087 C 0.0000000000 -0.0333175862 -0.1993585316 P 0.0000000000 -0.0543704513 2.5688216536 H 0.0000000000 1.0251175114 -0.0197332543 H 0.9186495654 -0.5694839698 -0.0522584578 H -0.9186495654 -0.5694839698 -0.0522584578 H -1.0281335961 0.9352943891 2.6172779938 H 1.0281335961 0.9352943891 2.6172779938 Cl 0.0000000000 0.0088440466 -2.3220165206 8 WaldenTS X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.69067053 C 0.0000000000 -0.0428558465 0.6277462080 P 0.0000000000 -0.0520437224 3.5082561890 H 0.0000000000 1.0091074020 0.8515988035 H 0.9141549743 -0.5771580742 0.8167006285 H -0.9141549743 -0.5771580742 0.8167006285 H -1.0281085307 0.9395885172 3.5157131439 H 1.0281085307 0.9395885172 3.5157131439 Br 0.0000000000 0.0047431336 -1.5743358492 8 DITS X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.64786013 H -1.2297720152 -0.6152304771 -1.4454378394 P 0.0557792593 -0.0302997439 -1.5871149571 H 0.0353092514 0.6476583924 -0.2158836614 H -0.4526594210 1.1133773530 -2.2627138969 C -0.0134646442 0.7781065919 1.6571110036 F 0.0067574926 -0.6344958218 1.5826681203 H -0.9849059845 1.2238656969 1.5364033729 H 0.9510242231 1.2486654867 1.5812256365 8 DITS X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.65748932 H -1.2330147496 -0.6490365243 -1.8625640535 P 0.0558016181 -0.0816366347 -2.0308280754 H 0.0235403481 0.7193552725 -0.7900932966 H -0.4287952030 0.9759301293 -2.8495311630 C -0.0123047977 1.2657271938 1.2124640278 Cl 0.0027825880 -0.4851646782 1.4594409834 H -0.9754390182 1.7107881806 1.0390034954 H 0.9476926980 1.7337932923 1.0878995711 8 DITS X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.62364196 H -1.2240398134 -0.7181534379 -2.4225979928 P 0.0562502663 -0.1506615056 -2.6449597020 H 0.0223932312 0.7400239884 -1.4755392115 H -0.4463890898 0.8339595278 -3.5395704354 C -0.0115718418 1.5914244274 0.4738627030 Br 0.0010375041 -0.2424448351 1.0411077967 H -0.9781381203 2.0010580437 0.2444796888 H 0.9532631178 2.0285878222 0.2921273927 8 DITS X=PH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-676.76210684 H -1.2024140348 -0.8041939256 -2.8569573278 P 0.0570490606 -0.2067301581 -3.1139832352 H 0.0221998980 0.6887988531 -1.9635505594 H -0.4886075141 0.7531992158 -4.0090415634 C -0.0107211548 1.7554446806 -0.0118378313 I 0.0005229335 -0.1551253637 0.8354739070 H -0.9732433855 2.1476524404 -0.2881868503 H 0.9508778627 2.1799288305 -0.2401587993 8 FSTS X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.65446967 C -1.0447029585 -0.0045445317 -1.0198184469 F 0.7413015466 0.0009114376 -1.3713463444 P 0.0987596648 0.0554930361 1.2498888495 H -1.1052968220 -0.4272533724 1.8688318369 H 0.6033991476 -1.2635783823 1.0925520502 H -1.0447669004 -0.2025970149 -2.0919512871 H -1.6081838053 -0.7660287854 -0.4884460475 H -1.4035345064 0.9911444892 -0.7890737227 8 FSTS X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.66344754 C -1.5402375551 0.0062756591 -0.3289114784 Cl 0.4223009860 0.0009570779 -1.6692913821 P 0.2284991446 0.0410326848 1.9491051740 H 0.1018594515 -1.3579501909 1.7259335371 H 1.6497606766 -0.0202503258 1.8664987333 H -1.9612236833 -0.0842308165 -1.3179147826 H -1.6414454333 -0.8657375680 0.3024240766 H -1.6705110703 0.9587969579 0.1621374101 8 FSTS X=PH2, Y=Br MP2/AVDZ,BR=AVDZ-PP ENERGY=-797.37147104 C -1.5866992280 0.0060438859 0.5394869285 Br 0.1654850462 -0.0004999302 -1.1265773882 P 0.3110161574 0.0442684864 2.4838936581 H 0.1568691662 -1.3798860221 2.4361441344 H 1.7290698909 -0.0480401152 2.2634942524 H -2.1761371243 -0.1414586769 -0.3729531738 H -1.7372875515 -0.8188425406 1.2450342647 H -1.7410050834 0.9954776243 0.9790038784 8 FSTS X=PH2, Y=I MP2/AVDZ,I=AVDZ-PP ENERGY=-676.52281143 C -1.6391878317 0.0056978879 1.0729422331 I 0.0978659319 -0.0000407217 -0.9005767900 P 0.3577131737 0.0427919692 2.9754949457 H 0.2233326767 -1.3783702153 2.8561420824 H 1.7829556084 -0.0248673704 2.7845321144 H -2.3031997020 -0.1328673735 0.2124817990 H -1.7220067197 -0.8306338118 1.7762846517 H -1.7622118629 0.9889804658 1.5364643424 8 PreTS X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.72861163 C 0.0000000000 0.0021113919 0.6086409961 Cl 0.0000000000 0.0012738191 2.4183742764 H 0.0000000000 1.0273780613 0.2621506945 P 0.0000000000 -0.0122980359 -2.7854973537 H -1.0333627619 0.1557134071 -3.7574948529 H 1.0333627619 0.1557134071 -3.7574948529 H -0.8878277905 -0.5154271138 0.2672494595 H 0.8878277905 -0.5154271138 0.2672494595 8 PreTS X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.69162627 C 0.0000000000 -0.0351871480 -0.3441782569 Br 0.0000000000 0.0048337000 1.6270456190 H 0.0000000000 0.9867436280 -0.6979245270 P 0.0000000000 -0.0004279105 -3.6940018091 H -1.0341577280 0.0928697898 -4.6747575515 H 1.0341577280 0.0928697898 -4.6747575515 H -0.8911759669 -0.5616097485 -0.6593578605 H 0.8911759669 -0.5616097485 -0.6593578605 8 PreTS X=PH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-676.82259252 C 0.0000000000 -0.0669401025 -0.9302508465 I 0.0000000000 0.0052406220 1.2404399256 H 0.0000000000 0.9514516553 -1.2947276639 P 0.0000000000 0.0065978168 -4.2581567484 H -1.0347818956 0.0898561089 -5.2389557767 H 1.0347818956 0.0898561089 -5.2389557767 H -0.8924338851 -0.5980267516 -1.2342217206 H 0.8924338851 -0.5980267516 -1.2342217206 8 PostHMIN2 X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.76668803 C 0.0000000000 -1.0001578595 0.0755066000 P 0.0000000000 0.2698517147 1.4129639769 H 0.0000000000 -0.5289911276 -0.9439957872 H 0.8816461325 -1.6323905486 0.2180357470 H -0.8816461325 -1.6323905486 0.2180357470 H -1.0270464527 1.1053196500 0.9065386907 H 1.0270464527 1.1053196500 0.9065386907 F 0.0000000000 0.2763535863 -2.4205841346 8 PostHMIN2 X=PH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-841.79681246 C -1.1987919231 0.0000000000 -1.0583961569 P 0.4268685027 0.0000000000 -1.9383004238 H -1.0443934229 0.0000000000 0.0253386469 H -1.7627563938 0.8834253074 -1.3651902963 H -1.7627563938 -0.8834253074 -1.3651902963 H 1.0468809769 -1.0258805086 -1.1860297256 H 1.0468809769 1.0258805086 -1.1860297256 Cl 0.1035955230 0.0000000000 2.1963236385 8 PostHMIN2 X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.77068674 C -1.2255619236 0.0000000000 -1.9879123122 P 0.4607629269 0.0000000000 -2.7471535118 H -1.1540792107 0.0000000000 -0.8973795782 H -1.7665144020 0.8834650421 -2.3327890206 H -1.7665144020 -0.8834650421 -2.3327890206 H 1.0227680941 -1.0256229241 -1.9506036304 H 1.0227680941 1.0256229241 -1.9506036304 Br 0.0389368474 0.0000000000 1.4831022063 8 PostHMIN2 X=PH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-676.91059883 C -1.2384076113 0.0000000000 -2.6106573885 P 0.4848771901 0.0000000000 -3.2839462351 H -1.2300424228 0.0000000000 -1.5192461878 H -1.7616594426 0.8833492773 -2.9813493902 H -1.7616594426 -0.8833492773 -2.9813493902 H 1.0058551537 -1.0257374402 -2.4601619959 H 1.0058551537 1.0257374402 -2.4601619959 I 0.0206410745 0.0000000000 1.1471025773 8 PostHMIN X=PH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-481.77841183 C -1.0476429562 0.0127661906 -1.4670436406 P 0.6622133170 -0.0520157674 -0.6612121611 H -1.7321925342 0.7038103754 -0.9665966326 H -1.0061164974 0.2747223328 -2.5286379233 H -1.4853939084 -0.9876584976 -1.3961501721 H 0.0769393115 -0.0018180655 1.2978194106 H 0.9537043902 1.3379984968 -0.8239288486 F -0.2478937137 0.0063267278 2.2398438977 8 WaldenPostMIN X=PH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-797.76813502 C 0.0000000000 -0.0023655591 1.7601040290 P 0.0000000000 -0.0584080582 3.6059853238 H 0.0000000000 0.9993506096 1.3399781730 H -1.0287442459 0.8859702623 3.8569251484 H 1.0287442459 0.8859702623 3.8569251484 Br 0.0000000000 0.0013763188 -1.8112871701 H 0.8723861885 -0.5286716739 1.3750028272 H -0.8723861885 -0.5286716739 1.3750028272