2 *** Parameters of the backbone valence-torsional potentials derived by integrating MP2/6-31G** local-interaction energy surfaces *** 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 3 6 GG_abinitio.thet.parm.3-6-free-maxlik-torv0 -3.8370878973 -7.0437347422 5.0154733197 15.8767031312 4.6879860932 -16.3790452548 -0.5526241355 -0.3254093451 6.1404276003 6.3582896836 -5.6822583166 -12.2475370620 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0082742837 0.0000000000 0.9736572794 -29.0543360833 28.1691304398 27.0465397660 -45.3297433676 33.5039816715 24.5691891112 -6.9263350061 -5.1220779916 6.2455884810 -2.8930653658 0.4069637183 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.1625069461 0.0000000000 3.3196622404 21.8935260349 -6.1183793672 -33.5329820893 13.2384770704 78.3953022573 -10.7514572314 0.7649148563 8.5365981994 8.5854205989 5.7174771649 4.6463877830 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0079798996 0.0000000000 3 6 GA_abinitio.thet.parm.3-6-free-maxlik-torv0 -0.8117051305 -0.5140669573 1.7398863478 3.3083278815 1.4513297375 -1.9245701349 -0.3467496455 -0.6268138274 -1.2874343817 -1.2694522332 -0.1736531646 1.2654659858 -6.7195208651 -15.3802623177 0.6543654308 12.0337088825 -6.5354015552 -20.1741752088 4.6231900221 3.8961212137 1.2125437701 -0.2575459427 0.4699673783 -0.5045010896 0.0352509670 0.0657655591 -4.0989377715 4.3925844438 5.5519788914 -4.6607160687 -11.1688952430 3.1832858939 -4.1862076346 3.0271021978 3.8397076682 -0.8974453256 -1.9920036134 3.9327405106 0.2662438723 -0.1243630869 -0.4274955915 -1.0300683022 -1.3821668157 0.4763095717 0.3725579148 0.1064428646 -0.2322875937 -0.6399124472 -0.1899076395 1.9707068309 0.0507565562 0.0355044088 -0.6714246809 -0.5638987662 0.2192091435 0.6678341425 0.6575797964 1.3132549484 -0.7278344638 -0.9352895192 -0.3546038272 0.8107044086 1.8261968651 2.5860401325 -0.6326360721 -1.1791024108 0.8315490041 1.4043602904 -1.9227533371 -3.2201141520 0.4350766122 0.2470565114 -0.3255686150 -0.8930163737 -0.3402400419 2.4608824557 0.0379882190 -0.0835000194 3 6 GP_abinitio.thet.parm.3-6-free-maxlik-torv0 -3.8412932782 -8.9662404976 2.1578808840 8.0399394291 -5.7908652630 -11.2287326854 2.9019355728 1.3277015444 -0.1932944270 0.0753491049 1.0291759969 -0.4215587359 -9.6442030548 -22.1211275200 2.3517277945 16.8095332200 -11.7387660157 -23.3642003002 7.6721236063 5.9255350339 0.8627158111 0.0786200051 4.5614953672 1.7909243610 -0.0934351108 0.0981837555 -4.8465665733 6.8829508309 6.3472410690 -6.3985269195 -10.5710057066 6.6298769137 -6.0985737305 3.4510176653 4.5074053665 -0.8940982221 -0.9411905649 6.5483215661 -3.7068022068 4.6154211111 5.8687331137 -5.5580999377 -13.3548283757 3.3286020732 -4.1739796294 2.1057293142 3.5821521038 0.7398457770 0.5153913597 4.9630030162 0.0660145423 0.0715407172 1.2271833343 0.7071027652 -1.0513488517 -2.3573206885 0.3429729637 4.4940101946 -0.0068025219 -1.1091055977 0.3311835208 1.1921855614 -0.7850569573 -0.5230224887 -1.0297588489 -0.4520921477 1.8936483479 2.7750037379 -0.1918798005 -3.3621606526 -0.3444711144 0.7427180295 1.2691795496 -0.5908097806 -2.4894007719 1.2143404703 0.0361818220 -0.0023211057 3 6 AG_abinitio.thet.parm.3-6-free-maxlik-torv0 1.4988088027 1.1958615989 -0.9365533542 -2.6112816526 -0.8810563681 2.2898262764 -0.9030743552 -2.7614926076 -0.2820755590 1.8030293928 -0.5088384456 -1.0919826793 -6.1309416325 2.0049404205 1.5747369909 -1.4702181234 0.6223212858 0.1062048317 0.1068679377 8.6921306731 -5.8071953639 -7.3227386447 11.5476563927 -5.6967950704 -0.0221221637 0.3741725773 -1.6385122968 -3.0100138512 1.7258730283 1.6345393777 -4.1845358437 1.6028179209 1.3898393599 1.4624505501 0.9863360891 0.1808458549 0.5014190957 0.4115705366 3.1258064859 8.5455994208 2.4809840964 -1.5522094551 6.1667362586 5.4370554475 -1.8279531329 -0.5126317339 -0.0878565876 -0.3403669524 -1.1222391632 -1.0958652480 0.5154587174 0.2119567213 0.8688944766 0.5536105589 -1.1133252602 -3.7485653380 -3.0449078210 1.6267834799 -0.0148671745 -1.0656968662 -0.5275395017 0.2865691812 0.6888384607 2.4487828287 0.0841720508 -2.7429975922 4.5115918398 2.8039261697 -3.7564566713 3.6468127220 2.9415098864 -0.8416405634 -0.4896129043 0.7015584764 -0.2446313310 0.1218662663 0.1535654469 -1.8584429692 3 6 AA_abinitio.thet.parm.3-6-free-maxlik-torv0 -1.6145316391 -12.4111250817 -5.2976571830 7.0643989351 3.4082665664 -6.6259906522 1.1377314188 -6.5405616397 -2.1660515802 6.0914484602 5.3481714036 1.9443365017 -8.4952903853 -7.2842720467 5.7726169158 9.7616355401 -4.7471097109 -10.6667680193 4.0373488593 12.5688992584 3.4005271086 -3.2452435264 8.2321943264 9.6378364342 0.0540120806 0.0643085102 -2.1905071361 -1.7788897849 4.5377535316 6.6320187337 -1.8553353814 -8.6696506736 -0.5070190989 -0.1507281499 1.0081579857 2.0816259355 2.7257429981 2.6321895190 -0.7369614053 4.7158961710 1.2261492856 -3.4548905432 2.6805886453 12.5952192466 -4.2406080102 -0.6696907121 2.4010085434 -0.0207646873 -4.2093029672 1.7440847130 0.0747238844 0.0770979183 -0.0204471396 -3.0200028773 -0.2616120362 1.2413887316 -3.5575934627 -3.7799732249 2.7403448921 1.1852334761 -1.0811211016 -0.5380925518 3.7982671140 5.6917389089 -2.5532143856 -1.6778625820 1.9996453664 2.5696255500 -2.1256406332 -2.7502272648 -0.4857718700 1.1196996773 0.1040329303 -1.2863395840 0.2091207128 4.9805586896 0.0773461731 -0.1402384904 3 6 AP_abinitio.thet.parm.3-6-free-maxlik-torv0 1.5871753215 1.6220047364 -4.1161961071 -2.3414758609 4.7517348879 -2.4028394508 -3.4006298843 -3.3786011686 2.3337903157 2.1991837006 -4.1054464875 1.9565870625 -1.4033761758 -4.7054159143 5.0735469981 5.7668183088 -4.7585252786 3.3994768392 3.2112170969 -0.2356243533 -1.3933021386 0.3159690208 1.0969231108 -0.8009672383 0.7644430506 0.8925546540 -0.9239262864 0.7990165074 1.7519288290 0.9888442696 -0.0939596565 0.0158216280 -1.8582270303 -0.4797518062 3.1998852449 4.7881515010 1.1354554653 -2.7866925671 0.6087718287 -0.4368831868 -1.2513133204 0.3334327932 2.1804768944 -0.1354805005 0.2504400494 0.0324039921 0.9721840167 0.3767939486 -1.9544578117 -0.6891931332 0.1320906150 -0.2353797615 1.8842431456 0.2210363975 -1.2733175378 -3.0313549513 -3.9539434530 -1.5125432095 -0.0232879349 -3.0977296199 -0.6390974360 2.4042262570 0.1086808289 -1.3326088449 0.4213273429 -0.4050427530 0.5888207203 0.9488214252 -0.0637934952 0.7647500131 -0.8124691577 -2.1962057500 0.9365430482 1.2131133381 -2.9820211914 1.1683816223 0.2673141001 -1.1937477162 3 6 PA_abinitio.thet.parm.3-6-free-maxlik-torv0 2.5574235412 -5.4084847681 -11.5634728598 -5.0773293193 4.3758307512 -2.6579287777 -5.6552738152 -13.7867377217 1.5830839888 10.4283843325 -6.1273535450 -4.8752526168 -6.5996654613 -17.7294947078 -6.2208942920 3.7635679540 -9.3324171812 -12.0138754612 4.0996585369 0.9979260766 -1.6677055565 4.4287128626 15.3248797851 11.8071153964 0.0866881618 0.0695196403 -3.8030940723 2.2366336231 3.3120016278 -1.3862938239 -4.9593431021 -0.1449406804 -3.4064763055 3.4874455010 7.0909449179 8.4265018719 7.9873798077 -1.3602728763 1.1441537502 -1.9659785305 2.8011793652 4.7130408110 -1.5186728394 -2.5193377559 -2.3507971997 -8.7071397472 0.9081564803 8.6761321130 0.2887699714 -3.0692725425 0.0503777483 0.1127507001 -1.3037768162 0.7960690895 2.1201953650 1.3179821841 -0.5894957240 -1.1932829861 -2.0851294530 -1.6466883924 -2.4890318289 -6.0650511064 -6.6876783186 7.5774546570 0.1040386626 -0.8540696460 -2.5740685375 -2.1606239116 2.7910573976 8.5705202279 1.5224431540 2.9443626602 0.3188991188 -5.5629938588 -7.6749848596 -1.0209235717 0.0453260952 -0.0221520670 3 6 PG_abinitio.thet.parm.3-6-free-maxlik-torv0 1.4676813034 -0.4660709871 -0.2687052580 0.4719634809 -0.5896507232 0.2486085994 -1.0434513877 -3.1545089068 2.4584523816 2.5358169304 -4.2926900157 1.9300881121 1.3731718879 -1.2273658558 0.8571488834 0.2048941526 -0.4479438902 0.5256509626 -0.3788583028 -3.4068767878 2.6411160397 2.3045190265 -4.1570976396 2.1080804196 0.8051867736 -1.0913762806 1.4845727075 -3.0771949645 1.9615668438 3.5204909419 -4.2547071285 2.2403300664 2.1537157460 -1.0602731772 2.7154358366 1.8147614738 -1.3916018248 2.1490052431 -1.1219883659 -1.5094797983 4.2267279842 2.6933554690 -3.4794743547 3.5346269701 2.4249821645 1.8199670348 -0.9081666015 -0.9465023236 2.2023960540 -1.3654712701 0.9147210312 0.7970658067 1.8842075466 2.6102166716 2.6006139830 1.8796717978 1.7739975439 0.7293083952 1.0209828592 -0.0335568307 -0.6176020970 -0.0296524887 0.2692894807 -0.7383510475 -2.5109435053 -2.4371367244 -2.3009118693 -1.5593968110 -2.6947022141 -3.0158483436 -1.3757570918 0.6258367540 0.9037288744 0.3629691578 -0.3790087144 -0.8111096872 0.4133043035 -0.3554277308 3 6 PP_abinitio.thet.parm.3-6-free-maxlik-torv0 1.2911113296 3.9022170778 -4.8722731734 -1.9759865518 4.9072006251 -2.5242303983 -4.6749735094 -0.2475890226 2.9883659715 -1.5905909780 -0.2629808267 0.7214114952 0.8481840659 -2.1228053443 -3.9816511949 2.3353552154 -2.6638789725 -1.5137963297 -2.4110938859 -3.5027748435 1.2462013335 1.7327029827 -3.6667937617 1.3856993599 2.2097303674 1.3591247723 -1.9968819671 2.1137444735 -2.2121113472 -1.8574908196 4.3908573306 -1.4493846399 0.6310873174 7.6391548889 0.7597540469 -2.1065359155 6.3556531185 -0.4929127244 5.7515481754 9.2925250349 2.3459691815 0.4447135602 9.2476719340 -0.8970015172 -1.5842564300 -2.5941926750 1.4717439072 1.5784569339 -3.6570296585 2.2944107608 0.8904257794 0.8349796704 5.0096536288 3.3445240483 -0.3385353064 0.2765197451 3.6511422254 -3.5099498003 0.2247640546 -3.9641404863 0.0016742692 1.4664631051 -3.8587506183 1.4533475815 0.9330688020 -0.3804055848 -1.1973168927 -2.5448302953 -4.2469784113 -2.5685417227 0.7573825414 -0.2700658827 0.5479519395 0.9169919829 -1.1635779148 -1.4076021270 0.2308480465 -0.3964574442