6 i = 0, time = 0.000, E = -34.3303964710 O 2.2803980000 9.1465390000 5.0886960000 O 1.2517030000 2.4062610000 7.7699080000 H 1.7620190000 9.8204290000 5.5284540000 H 3.0959870000 9.1070880000 5.5881860000 H 0.5541290000 2.9826340000 8.0820240000 H 1.7712570000 2.9547790000 7.1821810000 6 i = 1, time = 0.500, E = -34.3297789925 O 2.2807055575 9.1465838595 5.0883919888 O 1.2498929917 2.4074289284 7.7692382491 H 1.7550641677 9.8178358845 5.5212255966 H 3.1112981302 9.0969170746 5.5956143531 H 0.5663993495 2.9792400173 8.0854791515 H 1.7745194198 2.9517247311 7.1939396477 6 i = 2, time = 1.000, E = -34.3287906528 O 2.2810938851 9.1465143736 5.0880057320 O 1.2481430886 2.4083371258 7.7685912598 H 1.7468317341 9.8169710643 5.5154127828 H 3.1265398790 9.0869161313 5.6032028662 H 0.5758344344 2.9781042647 8.0902773264 H 1.7797622574 2.9504835298 7.2036786282 6 i = 3, time = 1.500, E = -34.3279989781 O 2.2816569948 9.1463220223 5.0875919643 O 1.2464808250 2.4089259514 7.7679581102 H 1.7376017910 9.8176768475 5.5110703534 H 3.1398366791 9.0773366634 5.6100676793 H 0.5816795339 2.9798971014 8.0968435085 H 1.7872918494 2.9513202206 7.2111353246 6 i = 4, time = 2.000, E = -34.3277542904 O 2.2824536844 9.1460139717 5.0872014341 O 1.2449189507 2.4091830380 7.7673245034 H 1.7278297775 9.8195589149 5.5080907122 H 3.1497224743 9.0684159063 5.6155281103 H 0.5837476503 2.9848496112 8.1053394370 H 1.7970573968 2.9542015292 7.2164224211 6 i = 5, time = 2.500, E = -34.3279978897 O 2.2835075421 9.1456102023 5.0868767781 O 1.2434524580 2.4091462088 7.7666758161 H 1.7181028654 9.8220570351 5.5062468114 H 3.1552105753 9.0603654046 5.6191356782 H 0.5824842170 2.9926888277 8.1156135109 H 1.8086404408 2.9588109314 7.2199843450 6 i = 6, time = 3.000, E = -34.3284123938 O 2.2848116168 9.1451387997 5.0866494510 O 1.2420611951 2.4088940254 7.7660011551 H 1.7090732160 9.8245375564 5.5052476019 H 3.1557721856 9.0533599447 5.6206772705 H 0.5788535575 3.0026992793 8.1272265032 H 1.8213326965 2.9646247282 7.2224917951 6 i = 7, time = 3.500, E = -34.3287040522 O 2.2863340532 9.1446310518 5.0865370925 O 1.2407164792 2.4085282817 7.7652951031 H 1.7013784598 9.8263832260 5.5047906840 H 3.1513029381 9.0475240318 5.6201716574 H 0.5741065883 3.0138823014 8.1395347678 H 1.8342810097 2.9710164962 7.2247109095 6 i = 8, time = 4.000, E = -34.3287574070 O 2.2880225370 9.1441174852 5.0865411149 O 1.2393883154 2.4081553744 7.7645574288 H 1.6955650581 9.8270646411 5.5046034983 H 3.1421140712 9.0429166182 5.6178695663 H 0.5695320041 3.0251531775 8.1517995491 H 1.8466448643 2.9773546982 7.2273850117 6 i = 9, time = 4.500, E = -34.3285982555 O 2.2898069785 9.1436252146 5.0866444773 O 1.2380505706 2.4078718032 7.7637918013 H 1.6920290647 9.8261894866 5.5044715741 H 3.1289538455 9.0395163855 5.6142598682 H 0.5662695747 3.0355160242 8.1632992842 H 1.8577079508 2.9830741256 7.2311516146 6 i = 10, time = 5.000, E = -34.3282870379 O 2.2916014875 9.1431763260 5.0868100688 O 1.2366834078 2.4077552776 7.7630044423 H 1.6909790671 9.8235337924 5.5042564094 H 3.1130341664 9.0372111810 5.6100739746 H 0.5652070478 3.0441761067 8.1734257299 H 1.8669280879 2.9877213524 7.2364955946