OH+Cl icMRCI+Q/cbs, AP pef 13 1.829866 1.23024263867537 1.44415819681789 -40.3693847988672 -294.20384015263 449.465816923067 -443.207852983945 283.9380463439327 -118.910510673078 31.36177322559983 -4.72679439986604 .3104644874970742 320.5646567462457 ClO+H icMRCI+Q/cbs, AP pef 11 2.974766 1.94401616399308 1.35144544045094 -5.82331124839016 -98.5737358297633 31.95661247387803 -12.6823148258955 2.4836311821027 -.269397940937771 1.210127644179588E-02 1673.368599527376 HCl+O(1D) MRCI+Q/CBS, MLJ pef 10 61.9409 6.0 2.409641 -5.73803440829695 11.05497785013002 31.07467473487925 132.8574355134279 434.4981865147597 886.7407102282495 770.7906099751495 HOCl: K.A. Peterson, S. Skokov, and J.M. Bowman, J. Chem. Phys. 111, 7446 (1999) 341 7 294 1.82 2.97 2.41 .774 1.099 .698 .6 1 0 1 0 660579.8666552459 1 0 1 1 -521095.418734509 1 0 1 2 102975.1263917107 1 0 2 0 -3640492.33348017 1 0 2 1 2753500.675393963 1 0 2 2 -525877.041550132 1 0 3 0 -4902949.03112554 1 0 3 1 5829526.83292177 1 0 3 2 -1506109.20123512 1 0 4 0 64012477.14638048 1 0 4 1 -60492513.9903377 1 0 4 2 13892790.26771269 1 0 5 0 -139450632.9573 1 0 5 1 132038288.607376 1 0 5 2 -30654146.0243794 1 0 6 0 106841253.8327798 1 0 6 1 -103453642.418308 1 0 6 2 24679671.85626376 2 0 1 0 -5776647.81926239 2 0 1 1 4122327.636025028 2 0 1 2 -719558.644167823 2 0 2 0 36638572.21553564 2 0 2 1 -27843678.6068238 2 0 2 2 5362635.821538159 2 0 3 0 -36949174.6775189 2 0 3 1 29348326.81789465 2 0 3 2 -6395350.97698283 2 0 4 0 -75723427.660293 2 0 4 1 59063848.99714952 2 0 4 2 -10172901.1219522 2 0 5 0 74571753.91052455 2 0 5 1 -59101033.2141834 2 0 5 2 10282262.90829345 3 0 1 0 12496262.49545529 3 0 1 1 -4548316.5255475 3 0 1 2 -268780.69689702 3 0 2 0 -99019942.536032 3 0 2 1 64083674.3003945 3 0 2 2 -9925447.14880878 3 0 3 0 121504502.7297832 3 0 3 1 -95377973.4411649 3 0 3 2 19981596.75148489 3 0 4 0 65938891.20329175 3 0 4 1 -39727411.1115406 3 0 4 2 4787312.26689554 4 0 1 0 21221567.96795734 4 0 1 1 -40071884.0400977 4 0 1 2 13064976.17418346 4 0 2 0 53384632.23220896 4 0 2 1 9028013.144126019 4 0 2 2 -12512031.7879901 4 0 3 0 -122362858.563179 4 0 3 1 83786633.28947216 4 0 3 2 -15425734.3923617 5 0 1 0 -104005529.636117 5 0 1 1 125954676.8826723 5 0 1 2 -34593277.407994 5 0 2 0 84595269.83804732 5 0 2 1 -122918035.63344 5 0 2 2 36538534.65462512 6 0 1 0 90118584.32476094 6 0 1 1 -100658593.329779 6 0 1 2 26424661.877823 0 1 1 0 94462.67005662953 0 1 1 1 -83114.1713090577 0 1 1 2 18013.68691022755 0 1 2 0 420191.0293067346 0 1 2 1 -593893.435590454 0 1 2 2 178050.2699604025 0 1 3 0 7853776.99446004 0 1 3 1 -6925544.07516149 0 1 3 2 1508500.267037017 0 1 4 0 -72342471.3928999 0 1 4 1 68598561.37717618 0 1 4 2 -15996214.8774033 0 1 5 0 165168154.8678497 0 1 5 1 -156668478.707403 0 1 5 2 36646257.31919643 0 1 6 0 -118955344.88642 0 1 6 1 110995095.0767572 0 1 6 2 -25786060.991072 1 1 0 0 -19360.0335611517 1 1 0 1 16741.33620116122 1 1 0 2 -3614.59290453418 1 1 1 0 -7596790.18056938 1 1 1 1 5991291.71001669 1 1 1 2 -1194675.9222171 1 1 2 0 -10831916.2564328 1 1 2 1 12507870.61936347 1 1 2 2 -3426586.92934775 1 1 3 0 113691140.3570467 1 1 3 1 -98093672.4665401 1 1 3 2 21987725.94592342 1 1 4 0 -118163282.71687 1 1 4 1 71352066.53025842 1 1 4 2 -11208118.5415144 1 1 5 0 127096116.2616541 1 1 5 1 -59037184.2930848 1 1 5 2 4486895.944402396 2 1 0 0 -494498.847112734 2 1 0 1 354262.085551457 2 1 0 2 -58431.6176388535 2 1 1 0 51088955.28664395 2 1 1 1 -42163188.254843 2 1 1 2 8815277.511854203 2 1 2 0 -53469157.1736906 2 1 2 1 26050159.5924331 2 1 2 2 -1546355.52871769 2 1 3 0 -174796181.193963 2 1 3 1 200202022.5790734 2 1 3 2 -55129097.7410862 2 1 4 0 -73049543.426098 2 1 4 1 24599952.38251379 2 1 4 2 4970929.207879655 3 1 0 0 8389919.089559662 3 1 0 1 -6274997.98787544 3 1 0 2 1129688.80933105 3 1 1 0 -99340237.683065 3 1 1 1 98822863.85950209 3 1 1 2 -24107817.7071975 3 1 2 0 188160307.8523102 3 1 2 1 -157038275.338655 3 1 2 2 32794639.58437117 3 1 3 0 22614158.74850942 3 1 3 1 -80876630.5782083 3 1 3 2 28760937.50910202 4 1 0 0 -42916474.899272 4 1 0 1 31782492.53547477 4 1 0 2 -5710001.01695925 4 1 1 0 38023986.85545057 4 1 1 1 -91046151.9527593 4 1 1 2 31604945.86885462 4 1 2 0 -58635470.2922765 4 1 2 1 107982795.414393 4 1 2 2 -32049007.784347 5 1 0 0 71505570.40148048 5 1 0 1 -47380081.0408607 5 1 0 2 7139331.770178974 5 1 1 0 21511864.34961917 5 1 1 1 39825316.09481411 5 1 1 2 -21502723.1376841 6 1 0 0 -17833732.9384391 6 1 0 1 -269952.869839997 6 1 0 2 3514098.149159455 0 2 1 0 -810244.040146488 0 2 1 1 811101.7963899066 0 2 1 2 -196061.816965434 0 2 2 0 2083350.097265785 0 2 2 1 -691709.307874845 0 2 2 2 -43997.4755953059 0 2 3 0 18513101.99839465 0 2 3 1 -17821235.0738393 0 2 3 2 4142386.421442893 0 2 4 0 6685750.136197788 0 2 4 1 -15869087.6374366 0 2 4 2 4920096.731463567 0 2 5 0 -75268831.3327901 0 2 5 1 79798906.69350237 0 2 5 2 -18926036.667249 1 2 0 0 1635197.848700657 1 2 0 1 -1500179.25092063 1 2 0 2 343854.9371161359 1 2 1 0 -5495792.35906341 1 2 1 1 1526656.576228453 1 2 1 2 299182.3412752828 1 2 2 0 45906596.47294468 1 2 2 1 -33461912.7512605 1 2 2 2 5722057.002357067 1 2 3 0 -105704768.897186 1 2 3 1 137617040.3637574 1 2 3 2 -35959540.8972932 1 2 4 0 -155820058.467408 1 2 4 1 46023484.52376613 1 2 4 2 1391771.503737393 2 2 0 0 -16948538.6517428 2 2 0 1 16212149.75175596 2 2 0 2 -3791409.17005507 2 2 1 0 -4953209.5973378 2 2 1 1 14831703.93451783 2 2 1 2 -5125419.89220007 2 2 2 0 -64536783.6258372 2 2 2 1 -21037556.4614338 2 2 2 2 19572038.62232373 2 2 3 0 583899668.8151081 2 2 3 1 -401884544.32765 2 2 3 2 71136036.96954923 3 2 0 0 117670350.2001795 3 2 0 1 -109783727.52086 3 2 0 2 25083752.6363987 3 2 1 0 23236181.29477485 3 2 1 1 8000493.154260495 3 2 1 2 -7835596.58739538 3 2 2 0 -193970446.562205 3 2 2 1 191240111.6123657 3 2 2 2 -49075248.6439163 4 2 0 0 -252057988.160001 4 2 0 1 226088073.3319692 4 2 0 2 -49769938.2865652 4 2 1 0 4635672.61122945 4 2 1 1 -72465693.0292752 4 2 1 2 29881700.59649985 5 2 0 0 126627028.9498691 5 2 0 1 -102461063.893036 5 2 0 2 20116144.57707645 0 3 1 0 -834161.147483819 0 3 1 1 18055.57508943352 0 3 1 2 127692.4022700996 0 3 2 0 -12503633.2635236 0 3 2 1 8670641.219287068 0 3 2 2 -1467163.76073312 0 3 3 0 -43333301.2833281 0 3 3 1 45311220.22370632 0 3 3 2 -10902350.6507434 0 3 4 0 95412188.81543358 0 3 4 1 -82936423.1559365 0 3 4 2 17422313.41001866 1 3 0 0 -7104135.93240111 1 3 0 1 6418212.210087258 1 3 0 2 -1445491.57121293 1 3 1 0 46536692.23513763 1 3 1 1 -38599219.786695 1 3 1 2 7944216.209921676 1 3 2 0 -20600900.7455733 1 3 2 1 -175365.077898841 1 3 2 2 1602509.032171221 1 3 3 0 20132305.93598254 1 3 3 1 -547325.71797799 1 3 3 2 596526.8930583158 2 3 0 0 13224918.47146243 2 3 0 1 -11063561.0531081 2 3 0 2 2370862.145946082 2 3 1 0 -156364515.701155 2 3 1 1 133739994.8703858 2 3 1 2 -27313150.7425726 2 3 2 0 3601458.460674265 2 3 2 1 -22104300.803941 2 3 2 2 4240215.573196239 3 3 0 0 -72852914.4379481 3 3 0 1 62007306.07561824 3 3 0 2 -13539871.180743 3 3 1 0 70743903.54357561 3 3 1 1 -41279401.0139036 3 3 1 2 6709737.697548806 4 3 0 0 156318285.6477632 4 3 0 1 -136831372.349233 4 3 0 2 29999306.68877837 0 4 1 0 10827633.40053122 0 4 1 1 -7357174.54861238 0 4 1 2 1216833.954577169 0 4 2 0 19644837.1857829 0 4 2 1 -17282564.0130878 0 4 2 2 3811553.149514829 0 4 3 0 -16260562.4347606 0 4 3 1 9478071.744395043 0 4 3 2 -1463409.01792682 1 4 0 0 15569980.13311131 1 4 0 1 -13924714.2077536 1 4 0 2 3109446.173198892 1 4 1 0 -37588767.6167156 1 4 1 1 36065562.06881287 1 4 1 2 -8129295.70480603 1 4 2 0 -20124803.5597748 1 4 2 1 23837025.07124393 1 4 2 2 -6156220.62353202 2 4 0 0 2659179.923668784 2 4 0 1 -3800954.20968953 2 4 0 2 962451.1088503775 2 4 1 0 151575325.4107125 2 4 1 1 -131647803.690043 2 4 1 2 29013767.13987128 3 4 0 0 -44831231.6602446 3 4 0 1 41536770.56610868 3 4 0 2 -9880251.71505845 0 5 1 0 -21832084.074235 0 5 1 1 16468063.32537831 0 5 1 2 -3120872.79676682 0 5 2 0 3103173.342493259 0 5 2 1 -1389433.63677314 0 5 2 2 151500.2081383597 1 5 0 0 -15783377.6044146 1 5 0 1 13891991.47314893 1 5 0 2 -3071481.60341948 1 5 1 0 -9892323.61955733 1 5 1 1 6514436.072449825 1 5 1 2 -1432465.1694247 2 5 0 0 8977080.798395637 2 5 0 1 -8268252.29661915 2 5 0 2 2051456.1113897 0 6 1 0 14430780.0082599 0 6 1 1 -11538171.4671978 0 6 1 2 2327337.332507221 1 6 0 0 4952713.908524391 1 6 0 1 -4226375.79208839 1 6 0 2 927657.6574439654 0 1 1 1 -2207584.9842421 0 1 2 1 -504733.493282727 0 1 3 1 -20771522.0893244 0 1 4 1 -118679166.893141 0 2 1 1 240343.9662856909 0 2 2 1 30585853.34060889 0 2 3 1 203400424.7273267 0 3 1 1 -9876670.45830914 0 3 2 1 -110507029.892036 0 4 1 1 19653518.31095043 1 0 1 1 -1629764.72307625 1 0 2 1 -14830643.3837142 1 0 3 1 -4214346.89040257 1 0 4 1 100004779.4302863 1 1 0 1 2944688.658479156 1 1 1 1 23895459.73213099 1 1 2 1 40035687.18934911 1 1 3 1 30924386.79714041 1 2 0 1 -3890479.44267408 1 2 1 1 -48142584.1156304 1 2 2 1 -213420719.086524 1 3 0 1 12335182.00506605 1 3 1 1 116844054.8889008 1 4 0 1 -16786015.8981378 2 0 1 1 11805648.37266949 2 0 2 1 19998543.48264526 2 0 3 1 -151263023.103578 2 1 0 1 -14658825.5193823 2 1 1 1 -35899297.6327152 2 1 2 1 114998990.3732848 2 2 0 1 12595640.84434437 2 2 1 1 40611936.30502081 2 3 0 1 -22758309.0319437 3 0 1 1 -14357020.5415477 3 0 2 1 65928135.9404836 3 1 0 1 16083013.61610699 3 1 1 1 -59908933.9693932 3 2 0 1 3097283.725262065 4 0 1 1 -5943679.85414246 4 1 0 1 4221856.139709534