8 PreMIN X=NH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-195.47185974 C 0.0000000000 -0.0279453953 -0.4163203582 N 0.0000000000 0.0119273449 2.4240036266 H 0.0000000000 0.9821908507 -0.0263796068 H 0.8861710105 -0.5562402398 -0.0832194485 H -0.8861710105 -0.5562402398 -0.0832194485 H -0.7978404802 -0.0060822332 3.0707434724 H 0.7978404802 -0.0060822332 3.0707434724 F 0.0000000000 0.0164316222 -1.8395108601 8 PreMIN X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.46294831 C 0.0000000000 -0.0990290301 0.2749836434 N 0.0000000000 0.0504506758 3.0483012950 H 0.0000000000 0.8957892294 0.6947845455 H 0.8887882926 -0.6392306779 0.5682625568 H -0.8887882926 -0.6392306779 0.5682625568 H -0.7986813556 -0.0347761694 3.6879185279 H 0.7986813556 -0.0347761694 3.6879185279 Cl 0.0000000000 0.0264746376 -1.5592396060 8 PreMIN X=NH2, Y=Br MP2/AVDZ,BR=AVDZ-PP ENERGY=-511.16995578 C 0.0000000000 -0.0974021881 1.0727392514 N 0.0000000000 0.0895284403 3.7289703298 H 0.0000000000 0.9287089440 1.4366284152 H 0.9062629863 -0.6418778944 1.3369625447 H -0.9062629863 -0.6418778944 1.3369625447 H -0.8052591539 -0.2615633808 4.2770575016 H 0.8052591539 -0.2615633808 4.2770575016 Br 0.0000000000 0.0100251049 -0.9746754336 8 HMIN X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.46337996 C 0.0000000000 -0.7725287864 0.0930940428 H 0.0000000000 -0.1395404171 1.0020245043 Cl 0.0000000000 0.2285671942 -1.4186646815 N 0.0000000000 0.2228770751 2.9266452641 H 0.8006072339 0.4968526859 3.5066509885 H -0.8006072339 0.4968526859 3.5066509885 H -0.8918237754 -1.3925773530 0.0526598856 H 0.8918237754 -1.3925773530 0.0526598856 8 HMIN X=NH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-511.42726717 C 0.0000000000 -0.9127192466 0.8052445957 H 0.0000000000 -0.2293074823 1.6832340762 Br 0.0000000000 0.1118950412 -0.8814421191 N 0.0000000000 0.2898307160 3.5212490872 H 0.8013845170 0.6323700883 4.0615694732 H -0.8013845170 0.6323700883 4.0615694732 H -0.8941742487 -1.5285713532 0.7707021416 H 0.8941742487 -1.5285713532 0.7707021416 8 HMIN X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.55979440 C 0.0000000000 -1.0535423196 1.2152418841 H 0.0000000000 -0.3451449407 2.0912744492 I 0.0000000000 0.0759808218 -0.6352462568 N 0.0000000000 0.3544845087 3.7944738460 H 0.8017099015 0.8730140229 4.1676347893 H -0.8017099015 0.8730140229 4.1676347893 H -0.8948207822 -1.6694664684 1.1719558889 H 0.8948207822 -1.6694664684 1.1719558889 8 FSMIN X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.44314980 C 0.0000000000 0.0018642706 -2.0447945368 Cl 0.0000000000 -0.0040226009 -0.2242935062 H 0.0000000000 1.0314563852 -2.4018349014 H 0.8901751580 -0.5104772442 -2.4086692264 H -0.8901751580 -0.5104772442 -2.4086692264 N 0.0000000000 0.0830489389 2.4549736810 H -0.7994916286 -0.5226528070 2.6798810397 H 0.7994916286 -0.5226528070 2.6798810397 8 FSMIN X=NH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-511.42280169 C 0.0000000000 -0.0153295431 -2.1517771741 Br 0.0000000000 0.0046120583 -0.0603992800 H 0.0000000000 1.0150767912 -2.5086326503 H 0.8949483616 -0.5352862809 -2.4946013817 H -0.8949483616 -0.5352862809 -2.4946013817 N 0.0000000000 0.0697294144 2.3636607256 H -0.7988444081 -0.5482178255 2.5405387464 H 0.7988444081 -0.5482178255 2.5405387464 8 FSMIN X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.57468390 C 0.0000000000 -0.0128035288 -2.3377980507 I 0.0000000000 0.0023074698 -0.0230241436 H 0.0000000000 1.0168453014 -2.7012729072 H 0.8936863676 -0.5316118549 -2.6901792995 H -0.8936863676 -0.5316118549 -2.6901792995 N 0.0000000000 0.0691760388 2.4142726558 H -0.8000000597 -0.5264343937 2.6444963970 H 0.8000000597 -0.5264343937 2.6444963970 8 DITS X=NH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-195.43590441 H -0.8849155796 0.1042915227 -1.7355692995 N 0.0682247211 -0.0654094956 -2.0415692400 H 0.5874881737 -0.1217401291 -1.1512163178 H 0.3727752968 0.8094084619 -2.4577312683 C 0.7490784602 0.0003166655 1.1702926203 F -0.6550508694 0.0060531942 0.9201587725 H 1.1970692778 0.9754090142 1.2465889112 H 1.2000869642 -0.9762833981 1.1788217055 8 DITS X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.44594846 H -0.8598193352 -0.0190619324 -2.8909945321 N 0.0614682806 0.1530896878 -2.5004309911 H 0.1054966910 -0.4525371651 -1.6637994699 H 0.0107168335 1.0890706536 -2.1106198597 C 0.0028275407 -1.2676099134 0.5050609513 Cl -0.0043325095 0.4484307143 0.9873566933 H 0.9701817337 -1.6991089285 0.3215282994 H -0.9620650363 -1.7134027847 0.3432732537 8 DITS X=NH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-511.41279299 H -0.2423688626 -0.8853619588 -3.3591791112 N -0.3185092864 0.0583580115 -2.9923614873 H 0.3777994859 0.0971945294 -2.2299818628 H -1.2079241425 0.0777467507 -2.5032027212 C 1.5209179686 0.0037645257 -0.1967270040 Br -0.2075246046 -0.0019454349 0.6673739613 H 1.9047423414 0.9739510448 -0.4536067451 H 1.9214511055 -0.9651305036 -0.4325910967 8 DITS X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.55216328 H -0.4389102465 -0.9155178050 -3.6647424736 N -0.4316128756 0.0531351997 -3.3606728762 H 0.2880754458 0.0881562266 -2.6219892300 H -1.3038636254 0.1741522886 -2.8554474504 C 1.6048648073 0.0049026066 -0.6667661039 I -0.1239568753 -0.0012276693 0.5221125051 H 1.9593446482 0.9701344041 -0.9818158465 H 1.9758959806 -0.9591618975 -0.9663792883 8 FSTS X=NH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-195.40015544 C -1.0108974734 0.0000000000 -0.2263125941 F 0.5696595173 0.0000000000 -1.0463793442 N 0.2629074401 0.0000000000 1.4883378236 H 0.8642702014 -0.7874303743 1.2292330177 H 0.8642702014 0.7874303743 1.2292330177 H -1.3368576448 0.0000000000 -1.2755145672 H -1.3681319771 -0.8931914086 0.2771650810 H -1.3681319771 0.8931914086 0.2771650810 8 FSTS X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.40938218 C -1.3134769866 0.0000000000 0.4479639411 Cl 0.2859530101 0.0000000000 -1.0998790213 N 0.5843877289 0.0000000000 2.0495798852 H 1.0615071691 -0.7903237030 1.6034542072 H 1.0615071691 0.7903237030 1.6034542072 H -1.9592623630 0.0000000000 -0.4220035082 H -1.3453755921 -0.9011379427 1.0410582059 H -1.3453755921 0.9011379427 1.0410582059 8 FSTS X=NH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-511.38151845 C 0.0000000000 -1.3879620423 -1.0898792386 Br 0.0000000000 0.1171032203 0.7112438638 N 0.0000000000 0.7044115623 -2.5606553393 H -0.7914693661 1.1355430358 -2.0711194627 H 0.7914693661 1.1355430358 -2.0711194627 H 0.0000000000 -2.1376765939 -0.3086723881 H -0.9013723951 -1.3329929391 -1.6807089067 H 0.9013723951 -1.3329929391 -1.6807089067 8 FSTS X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.51945022 C 0.0000000000 -1.4312933137 -1.4681902762 I 0.0000000000 0.0701432612 0.5360396233 N 0.0000000000 0.7803479223 -2.9067455667 H -0.7918973749 1.1477357238 -2.3683161213 H 0.7918973749 1.1477357238 -2.3683161213 H 0.0000000000 -2.2440330574 -0.7534219933 H -0.9007645371 -1.3355163417 -2.0558421168 H 0.9007645371 -1.3355163417 -2.0558421168 8 PreTS X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.55852599 C -0.0043410686 0.0296988356 1.5306907555 H -0.0662749717 1.0732247703 1.7947908605 H 0.9258382599 -0.4260622126 1.8261932063 H -0.8771986652 -0.5301701520 1.8226399203 I 0.0003061694 -0.0019660577 -0.7187207993 N 0.0014617986 -0.0089256829 4.1228974321 H 0.0070233832 0.7526347310 4.8082734633 H 0.0034796749 -0.8519574478 4.7055766068 8 WaldenTS X=NH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-195.45697099 C 0.0000000000 0.0069022529 -0.0649231323 N 0.0000000000 -0.0788400712 2.1057901140 H 0.0000000000 1.0753064278 0.0292132885 H 0.9210751794 -0.5313944078 0.0485987653 H -0.9210751794 -0.5313944078 0.0485987653 H -0.7994360183 0.4918588627 2.4020996991 H 0.7994360183 0.4918588627 2.4020996991 F 0.0000000000 0.0009074879 -1.7730510249 8 WaldenTS X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.46074879 C 0.0000000000 0.0294263537 0.4539554763 N 0.0000000000 -0.0851932514 2.9128466581 H 0.0000000000 1.0842543662 0.6561921579 H 0.9060634471 -0.4960860816 0.6932927088 H -0.9060634471 -0.4960860816 0.6932927088 H -0.7994007064 0.4591308016 3.2577684451 H 0.7994007064 0.4591308016 3.2577684451 Cl 0.0000000000 -0.0050356685 -1.5479112062 8 PostHMIN X=NH2, Y=F CCSD(T)-F12B/AVTZ ENERGY=-195.54193471 C 0.0150165272 -0.5217504844 1.4861125942 N -0.0774596848 0.7147477022 0.7185819394 H 0.8462288554 -1.1802084910 1.1904167499 H 0.1103778254 -0.3189071152 2.5604619348 H -0.9043575219 -1.0948867741 1.3440604660 H -0.0969277009 0.4381746992 -0.3047606711 H 0.7955197004 1.2200477868 0.8330739049 F 0.0077789813 -0.1474493190 -1.7676517878 8 PostHMIN X=NH2, Y=Cl CCSD(T)-F12B/AVTZ ENERGY=-555.56893891 C -0.6360218057 0.0130091783 -2.0796022583 N 0.7491904334 -0.0685075999 -1.6135284763 H -1.2489157111 0.7321412650 -1.5234577046 H -0.6614174947 0.2730005806 -3.1424055416 H -1.1052785391 -0.9655838283 -1.9670380983 H 0.7042830591 -0.2103208908 -0.5981819809 H 1.1689463399 0.8497697103 -1.7109456165 Cl -0.0480347184 0.0033541310 1.5962355988 8 PostHMIN X=NH2, Y=Br CCSD(T)-F12B/AVTZ,BR=AVTZ-PP ENERGY=-511.54222352 C -0.6578056615 0.0123758563 -2.8029379826 N 0.7508775814 -0.0659900357 -2.4100073972 H -1.2406611009 0.7371185676 -2.2230423682 H -0.7357830306 0.2619672509 -3.8653288159 H -1.1198243673 -0.9647404498 -2.6556139897 H 0.7635801413 -0.2349627927 -1.4007687691 H 1.1587936934 0.8577334501 -2.5058419356 Br -0.0179364967 0.0014182356 1.0033712997 8 PostHMIN X=NH2, Y=I CCSD(T)-F12B/AVTZ,I=AVTZ-PP ENERGY=-390.68155843 C -0.6642587913 0.0118344452 -3.3038533783 N 0.7498636195 -0.0607823014 -2.9274538183 H -1.2654678676 0.6530755534 -2.6497683238 H -0.7554533443 0.3695822318 -4.3328406134 H -1.0933251430 -0.9902849099 -3.2628930886 H 0.7824915134 -0.3110979792 -1.9383229983 H 1.1324187216 0.8782148832 -2.9467155831 I -0.0103686964 0.0008271217 0.7559743512