No.1 F-(NH3) CCSD(T)/CBS=-17.79 kcal/mol -1 1 F -0.20511594 1.19194574 -0.69629013 -- 0 1 N -1.07146819 -0.00912580 1.50279456 H -0.61757278 -0.91698377 1.47414861 H -0.60090013 0.48687624 2.25355584 H -0.76307217 0.48318498 0.60817267 No.2 F-(H2O) CCSD(T)/CBS=-32.50 kcal/mol -1 1 F -1.236389 0.012239 0.000000 -- 0 1 O 1.197566 -0.108087 0.000000 H 1.415397 0.827014 0.000000 H 0.134830 -0.084378 0.000000 No.3 F-(HF) CCSD(T)/CBS=-65.68 kcal/mol -1 1 F -2.39910643 1.11119678 0.01465458 -- 0 1 H -3.54179452 1.07049297 -0.03082482 F -4.68327749 1.02774471 -0.07858853 No.4 Cl-(NH3) CCSD(T)/CBS=-8.98 kcal/mol -1 1 Cl -0.05269980 1.43421219 -1.14799707 -- 0 1 N -1.10346063 -0.08276288 1.64126479 H -0.60746391 -0.96403360 1.55976728 H -0.58603413 0.44582929 2.33563939 H -0.90847074 0.40265240 0.75370716 No.5 Cl-(H2O) CCSD(T)/CBS=-15.61 kcal/mol -1 1 Cl -1.351043 0.035294 0.000000 -- 0 1 O 1.741354 -0.086572 0.000000 H 1.829090 0.870130 0.000000 H 0.754930 -0.179400 0.000000 No.6 Cl-(HF) CCSD(T)/CBS=-25.52 kcal/mol -1 1 Cl -5.21765848 1.03354120 0.01665425 -- 0 1 F -2.34796119 1.10896784 -0.00280930 H -3.32450119 1.08822239 0.00254398 No.7 Cl-(H2S) CCSD(T)/CBS=-14.35 kcal/mol -1 1 Cl -1.38565744 2.76073507 0.04152025 -- 0 1 S -0.45137805 -0.50737958 0.08418545 H 0.84282198 -0.17577977 0.07333611 H -0.85771821 0.83838221 0.06533087 No.8 Cl-(HCl) CCSD(T)/CBS=-41.79 kcal/mol -1 1 Cl -1.08432470 -0.37737497 0.80154747 -- 0 1 H -0.91892476 0.27674122 -0.59444772 Cl -0.75489014 0.93320944 -1.99831453 No.9 OH-(NH3) CCSD(T)/CBS=-17.03 kcal/mol -1 1 O 0.37914126 1.17006536 -0.63503913 H -0.13413605 1.61143182 -1.32322936 -- 0 1 N -1.06750105 0.05997920 1.41694900 H -0.73623194 -0.89988195 1.43112069 H -0.65329102 0.48808552 2.23939266 H -0.56988127 0.51320705 0.58796765 No.10 OH-(H2O) CCSD(T)/CBS=-37.31 kcal/mol -1 1 O 1.23583426 -0.09177426 -0.06793615 H 1.54755831 0.57192835 0.55691305 -- 0 1 O -1.23110973 0.09790429 -0.05372440 H -0.11773792 0.03366878 -0.06528348 H -1.46896962 -0.65591986 0.49310314 No.11 N3-(NH3) CCSD(T)/CBS=-7.97 kcal/mol -1 1 N 0.36361811 1.92872675 -1.78505001 N 0.82217635 2.40665037 -2.78966658 N -0.09456843 1.45169479 -0.77682295 -- 0 1 N -1.10641339 -0.09909070 1.63870926 H -0.62338272 -0.98780499 1.57364191 H -0.63052708 0.41097726 2.37416572 H -0.86782421 0.40216018 0.77586181 No.12 N3-(H2O) CCSD(T)/CBS=-14.13 kcal/mol -1 1 N 1.33903020 1.02134036 0.06005448 N 0.13642374 1.07964684 0.06992628 N 2.53911950 0.97428494 0.05221327 -- 0 1 O -2.64213619 0.84113657 -0.01621466 H -1.65873038 0.78859232 0.00903116 H -2.77813149 1.79161935 0.00241115 No.13 N3-(HF) CCSD(T)/CBS=-26.01 kcal/mol -1 1 N -6.06210759 1.07714827 0.12402691 N -4.94801541 1.43880837 0.40939133 N -7.18169655 0.75794183 -0.14863494 -- 0 1 F -2.79019342 0.08212057 0.39201215 H -3.63394766 0.58534228 0.39040005 No.14 N3-(H2S) CCSD(T)/CBS=-11.07 kcal/mol -1 1 N -1.73329119 3.59149372 0.14063878 N -1.21103786 2.50571306 0.11806779 N -2.25487580 4.67309593 0.15983177 -- 0 1 S 0.23822045 -0.32759885 0.22386308 H 1.45500849 0.22343806 0.25687266 H -0.39093681 0.89386854 0.17792180 No.15 SH-(NH3) CCSD(T)/CBS=-8.62 kcal/mol -1 1 S 0.77161186 1.32626876 -0.93871661 H -0.19075129 1.84274060 -1.71747519 -- 0 1 N -1.14955058 -0.03994433 1.59773591 H -0.79938973 -0.99197454 1.58883828 H -0.71314780 0.39769793 2.40214495 H -0.70067253 0.40809859 0.78463418 No.16 SH-(H2O) CCSD(T)/CBS=-15.73 kcal/mol -1 1 S -0.51241078 -0.44197264 -0.04750800 H 0.79415815 -0.15372357 -0.13812390 -- 0 1 H -1.09392828 1.61353979 0.51030649 O -1.38518770 2.56316698 0.55894651 H -1.49409901 2.75755918 -0.37617920 No.17 SH-(HF) CCSD(T)/CBS=-26.24 kcal/mol -1 1 S -0.43359916 -0.52087036 0.08212143 H 0.87503954 -0.23250492 0.07375789 -- 0 1 H -0.99863535 1.36453619 0.05992274 F -1.29473675 2.30479703 0.04857063 No.18 HCOO-(CH3NH2) CCSD(T)/CBS=-12.80 kcal/mol -1 1 O 1.08158457 0.53552235 1.16453411 O 0.73140531 1.11728859 -1.02901220 C 0.55296274 0.41582213 0.01932584 H -0.18253542 -0.43603415 -0.09503084 -- 0 1 H 2.36697427 2.20548441 -0.65971210 N 3.32268730 2.45518173 -0.35368999 C 4.09487266 1.20377954 -0.45123604 H 5.10778837 1.34800846 -0.03486607 H 3.61458319 0.35247738 0.06651736 H 4.21179871 0.93727064 -1.51439876 H 3.17710777 2.63232098 0.64350428 No.19 HCOO-(CH3OH) CCSD(T)/CBS=-20.65 kcal/mol -1 1 O 1.38050831 -0.61427585 0.64553692 O 0.75999638 1.34165130 -0.38416264 C 0.56237196 0.17240266 0.09422137 H -0.50009988 -0.19426003 0.00145233 -- 0 1 H 2.30499465 2.01523558 -0.28866606 O 3.23686387 2.37650656 -0.26222526 C 4.08715257 1.23732458 -0.32691746 H 5.05209288 1.49309783 0.14605501 H 3.63898796 0.37456525 0.19473751 H 4.29416473 0.93841922 -1.37563229 No.20 HCOO-(H2O) CCSD(T)/CBS=-21.03 kcal/mol -1 1 O 1.59775368 -0.22644652 -0.02752025 O 0.47496511 1.77146334 -0.18450988 C 0.56040284 0.50807434 -0.07229434 H -0.42314163 -0.03974608 -0.00335370 -- 0 1 H 2.40394321 2.35207776 -0.27886580 O 3.32462766 2.01895321 -0.26876004 H 3.07796730 1.07413405 -0.17750953 No.21 HCOO-(HF) CCSD(T)/CBS=-31.40 kcal/mol -1 1 O 1.37088589 -0.63951214 0.00955920 O 0.92684716 1.60675965 -0.18182350 C 0.62193618 0.36289945 -0.06180930 H -0.48781772 0.18146382 -0.01741873 -- 0 1 F 3.22218326 2.48267378 -0.31645419 H 2.31862974 2.04960990 -0.25557296