7 PreMIN BENCHMARK ENERGY=-215.54388608 C 0.0000000000 -0.0993366850 -0.3928817855 O 0.0000000000 0.0539258229 2.2518635815 F 0.0000000000 0.0527962036 -1.8090408700 H 0.0000000000 -0.2518574844 3.1647496880 H 0.0000000000 -1.1597223755 -0.1650894439 H 0.8843801384 0.3720937575 0.0177822514 H -0.8843801384 0.3720937575 0.0177822514 7 WaldenTS BENCHMARK ENERGY=-215.52609652 C 0.0000000000 0.0070856774 -0.0189186960 O 0.0000000000 -0.0607289026 1.9710638510 H 0.0000000000 0.8613792297 2.2479004881 H 0.0000000000 -1.0621561013 0.0537993962 H 0.9302234328 0.5370099515 0.0313375505 H -0.9302234328 0.5370099515 0.0313375505 F 0.0000000000 0.0003338887 -1.7733993032 7 PostHMIN2 BENCHMARK ENERGY=-215.56825738 C 0.0000000000 -0.5530283025 0.6842879659 O 0.0000000000 0.4182414450 1.7537902544 H 0.0000000000 -0.0569008652 -0.3032067565 H 0.0000000000 -0.0692573139 2.5780630451 F 0.0000000000 0.1302768188 -2.1101503926 H 0.8899969597 -1.1890989865 0.7530182086 H -0.8899969597 -1.1890989865 0.7530182086 7 PostHMIN1 BENCHMARK ENERGY=-215.60172076 C -0.4788713436 0.0000000000 1.3938064964 O 0.6726576160 0.0000000000 0.6180206474 H -0.2120494362 0.0000000000 2.4603734235 H 0.3496758805 0.0000000000 -0.3931184294 F -0.1527571505 0.0000000000 -1.6402472363 H -1.1146357156 0.8834774061 1.2150721483 H -1.1146357156 -0.8834774061 1.2150721483 7 PostHMIN1' BENCHMARK ENERGY=-215.60136459 F 0.0000000000 0.1533850574 -1.6341418297 H 0.0000000000 -0.3608503349 -0.3936220710 O 0.0000000000 -0.6767525875 0.6188539101 C 0.0000000000 0.4823492700 1.3868500446 H 0.0000000000 1.3806459208 0.7554225862 H -0.8845503297 0.5417854087 2.0450942984 H 0.8845503297 0.5417854087 2.0450942984 7 DITS BENCHMARK ENERGY=-215.49440661 H -0.8383447257 0.0000000000 -1.4553426666 O 0.0331558026 0.0000000000 -1.8581805280 H 0.5894371134 0.0000000000 -1.0320418471 C 0.7888157605 0.0000000000 1.0167872632 F -0.6445148342 0.0000000000 0.9520456941 H 1.2355385503 0.9767290663 0.9608351177 H 1.2355385503 -0.9767290663 0.9608351177 7 FSTS1 BENCHMARK ENERGY=-215.45424178 C -0.9556764389 0.0061320207 -0.0637550310 F 0.4536915449 -0.0070687675 -1.1069308452 O 0.4411848282 0.0011369373 1.2496003092 H -0.1462464273 -0.0795936141 2.0117888036 H -1.4024306191 -0.3798335373 -0.9936063849 H -1.4529728362 -0.5626234346 0.7392068229 H -1.1647465695 1.0641694397 0.0312338727 7 FSTS2 BENCHMARK ENERGY=-215.46742205 H -1.1301967890 -0.0218818537 -0.7563826675 O -0.3644499497 0.0030700419 -1.3373072158 C 1.0093061912 -0.0018767842 0.0871984258 F -0.4858272811 0.0027584848 1.0983839618 H 1.4186192729 0.1308097264 1.0961007592 H 1.3702268070 0.7955597684 -0.5564904359 H 1.2563519365 -0.9828490310 -0.2979094614 7 Proton abstraction MIN1 BENCHMARK ENERGY=-215.51215842 C 0.0000000000 -0.6595413701 -1.4314255239 H 0.0000000000 -1.0374938339 1.6004262924 F 0.0000000000 0.6732226599 -0.6926567587 O 0.0000000000 -0.1127618222 1.8559869205 H 0.0000000000 0.3097773782 0.9724825128 H -0.8755619072 -1.1562136555 -0.9602707634 H 0.8755619072 -1.1562136555 -0.9602707634 7 Proton abstraction MIN2 MP2/AVDZ,I=AVDZ-PP ENERGY=-215.03301560 C -0.0000411648 -0.7935143050 -0.8037856335 H -0.0001203258 0.1471370065 1.4058030797 F 0.0000272749 0.4269633796 -1.7008813980 O -0.0000300382 0.2010897731 2.3886199333 H 0.0006643426 -0.7343662266 2.6277920868 H -0.8950292948 -0.5982878701 -0.1556839007 H 0.8949385226 -0.5983567011 -0.1556522639 5 CH3F BENCHMARK ENERGY=-139.72896349 F 0.0000000000 0.0000000000 -0.6423322263 C 0.0000000000 0.0000000000 0.7412489734 H 1.0309950342 0.0000000000 1.0913827793 H -0.5154975171 0.8928678908 1.0913827793 H -0.5154975171 -0.8928678908 1.0913827793 2 OH- BENCHMARK ENERGY=-75.79299089 O 0.0000000000 0.0000000000 -0.0571685459 H 0.0000000000 0.0000000000 0.9074572224 6 CH3OH BENCHMARK ENERGY=-115.70830652 C 0.0000000000 0.0131631104 -0.7278189964 O 0.0000000000 -0.0640094652 0.6897729651 H 0.0000000000 0.8283628311 1.0387405887 H 0.0000000000 -1.0096842380 -1.0974851670 H -0.8903976677 0.5202551829 -1.1086516075 H 0.8903976677 0.5202551829 -1.1086516075 1 F- BENCHMARK ENERGY=-99.84547158 F 0.0000000000 0.0000000000 0.0000000000 4 CH2F- BENCHMARK ENERGY=-139.06143431 C 0.1043961732 0.0000000000 -0.8399496184 F -0.0103896823 0.0000000000 0.6496811150 H -0.5240962086 0.8743079845 -1.1182554411 H -0.5240962086 -0.8743079845 -1.1182554411 3 H2O BENCHMARK ENERGY=-76.42606327 H 0.0000000000 -0.7576575712 0.5215485898 O 0.0000000000 0.0000000000 -0.0657136750 H 0.0000000000 0.7576575712 0.5215485898 5 CH3O- BENCHMARK ENERGY=-115.08505348 O -0.0000000000 0.0000000000 -0.6985337562 C -0.0000000000 0.0000000000 0.6465900329 H 1.0221757028 0.0000000000 1.1276888483 H -0.5110878514 0.8852301257 1.1276888483 H -0.5110878514 -0.8852301257 1.1276888483 2 HF BENCHMARK ENERGY=-100.44538183 F 0.0000000000 0.0000000000 -0.0462285010 H 0.0000000000 0.0000000000 0.8713491801