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Lab2_images - 9 File Edit View Calm 6 a x...

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Unformatted text preview: 9 File Edit View Calm . . 6 _ a x EIfiE’I%\[email protected]$WKWDWD°eWEIMU.ijew mm M +EYMKflWE-HSQ E 53 waterilabZ - palh c \Users\Dwner\Desklup\5emes| 1:. Atoms Cl Residues [:1 Groups 3 a Ea1eu1a|1rms Energy Man May 241311 01 201: Energy. Mun May 21131313 201[ Energy MunMay241B1533201E Energy: Mon May 21131530 201[ Energy MunMay 21191717 2011 1.100001 Energy: Mon May 24131302 201[ Energy MunMay 21191354 201: Energy: Mon May 24131943 201[ Energy Mun May 2413 2|] 3D ZE|1[ Energy Man May 2413 2134 201: Energy. Mun May 2113 2202 201[ Energy MunMay 241a 2300 201: - Melhod:AM1 0.1er File E \Users\flwner\D SCF type: HHF Taial Energy 713E114 37 keai/r Heatannrmatmn 257m . NetEharge 0 i DipaleMamenl ' - x 1.1a2131debye flfl.flfl émmmememammm . J. 44835251121112 .4 .2” r . mun“ ....... h... u... _ _ z USGSSBSdeb 6 Final SCF Energy: 7121717006815 au A ' y Saving the linal SCF to the restart file CElUser5\0wneflDesktu|rlSemesler 3\lnurgani: Lab 131 Zurgus Lah\water_lab2.restarlsr:l ' ‘3"ng 2115153d5b5'e Calculating Properties '1 Calculatinn Finished __ ' ‘ A - .m . _ E:.: 1 F1 1 FE -._ FE: i H “1 F5 "1 FE F? ‘1 FE 7 F3 1 0 File Edit VIEW CakuI - - I! H H .- i' w :E *5 ' l! ';'i ' ll ""i ll l ll ii ll ll_ 0 ' a x mlfifielxaaEW©fufifimDW°°eMEIMWLWJ~W an [email protected]|©1E1—1z 2 a a a waterilab2 - path: E \Users\aner\Desklop\Semesl [j Alums [j Hesrdyes 1:. Ergups E-B Ea1cu1auons Energy Mun May 211311 01 201[ Energy' Man May 2413 13 43 201[ Energy. Mun May 241315 33 ZU1[ Energy Mun May 241315 SD 201[ Energy: Mon May 24131717 201[ Energy Mun May 241918 02 201[ Energy: Mon May 241313 54 ZU1[ Energy Mun May 241313 43 ZE|1[ Energy'Mnn May 24182030 201[ 1_1|][|[|[|1 Energy. Mun May 2413 2134 ZU1[ Energy Mun May 2413 22 02 201E Energy:M0r1 May 24132300 201[ 12fl.[|[| Me|hgd AM1 Uutpul file C:\Users\aner\D EEF type RHF Total Energy 43014.37 kcai/r Heal uf Farmatmn 735 7 k1: Net Charge 0 DIDUlE Mumenl - x -1 182134 delays - y 1.4035213 debye +€IH§HEIH§HEIHEHEHEH§HEH§HE . Z 3 335559 deb 2 Final SCF Energy = -12.7717|][|Efl15 au ‘ y Saving the linal SCF to the restart tile C:\Users\0wnefiD:sktnp\Semester 3\lnnrganir: Lah 1312Mrgus Lah\water7lah2.restart5r:l ienglh:2.115163debye Calculating Prunerlies a Calculatirrn Finished 1: WrF—TQ ‘ ...
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