1 Number of Atoms and Title : 2 22 TRANS-CYCLOOCTENE (C2-SYMMETRY) -- MM3 TEST CASE 3 Periodic Box Dimensions : 4 0.0000000000000000D+00 0.0000000000000000D+00 0.0000000000000000D+00 5 0.0000000000000000D+00 0.0000000000000000D+00 0.0000000000000000D+00 6 Current Atomic Positions : 7 -0.6701918556042400D+00 0.2783777794845032D-02 0.2821634103050782D+01 8 0.6703410025777272D+00 -0.2452657108870086D-02 0.2822256788708739D+01 9 0.1400011950833371D+01 0.1214840445112443D+01 0.2318611866906730D+01 10 0.1552367709294356D+01 0.1060440394661603D+01 0.7893619192047793D+00 11 0.2387172612813464D+00 0.7447321606551890D+00 0.2381679494859657D-01 12 -0.2359807892441395D+00 -0.7473049269269243D+00 0.2437128289527054D-01 13 -0.1550338877650369D+01 -0.1062218193962378D+01 0.7890288360993226D+00 14 -0.1399397346821152D+01 -0.1215031696934417D+01 0.2318578370623769D+01 15 -0.1214757455105460D+01 0.9603982493751611D+00 0.2754334807676861D+01 16 0.1214968091251651D+01 -0.9601367616894251D+00 0.2756454721312943D+01 17 0.2395812174652772D+01 0.1298830698700882D+01 0.2809359952721878D+01 18 0.8362337188172096D+00 0.2144959845119727D+01 0.2556880673120701D+01 19 0.2302843039946978D+01 0.2675395482186768D+00 0.5651701998833703D+00 20 0.1982871952095022D+01 0.2008190030173335D+01 0.3882920687717248D+00 21 0.3995405975681820D+00 0.1039955339283489D+01 -0.1040583172232076D+01 22 -0.5771848310668971D+00 0.1409666399019812D+01 0.3848761404996899D+00 23 0.5795865012394033D+00 -0.1411863428313441D+01 0.3868760039065601D+00 24 -0.3958195487103376D+00 -0.1043633653574100D+01 -0.1039870931698704D+01 25 -0.1980472236280116D+01 -0.2010383180037437D+01 0.3885448466046379D+00 26 -0.2300606275252350D+01 -0.2695514269488039D+00 0.5633201522603579D+00 27 -0.8358397921558527D+00 -0.2144902974256079D+01 0.2558332079388114D+01 28 -0.2395651587796753D+01 -0.1298513295684831D+01 0.2808491904950518D+01 29 Current Atomic Velocities : 30 -0.2713141837721786D-04 0.1530260934231428D-04 -0.2509866101675262D-04 31 0.1062839543879545D-04 -0.2057083088472756D-04 0.5489697755917239D-06 32 0.2187252372809447D-04 0.1275372938044289D-04 -0.4279386596987924D-04 33 -0.3330963368871302D-04 0.1779605737888877D-04 0.4390968282852579D-04 34 -0.7599827051151456D-05 0.5598610449107168D-05 -0.1223873361862226D-05 35 -0.5061601713953832D-04 -0.2150120301514983D-04 0.4819165665074001D-05 36 -0.3584596125508169D-05 -0.5918423373478557D-05 -0.1968402168823042D-04 37 0.1331169380515026D-04 0.1422600256956974D-04 0.3691744056835406D-04 38 0.1385975392906415D-03 -0.2281948501355940D-03 0.6846320957888277D-04 39 0.2103866637400340D-04 -0.4424900694329591D-04 -0.4894373950934374D-04 40 -0.1153191182070145D-04 -0.8848414205773461D-04 0.3676520012732691D-04 41 -0.1690030686977620D-03 0.1261625851148078D-03 0.5275276475068438D-04 42 0.1556661982820398D-03 -0.1954212233019119D-03 -0.2666479503554651D-05 43 0.1681861925051580D-03 0.7659719784623618D-04 0.1647425079573931D-04 44 0.1422527259990325D-04 -0.5387566131499071D-04 0.1404331664146204D-03 45 0.1053868801013659D-03 -0.1170271691313183D-04 -0.4934485276763683D-04 46 0.2207255434564482D-03 0.4096294717944066D-04 0.1081081952485395D-04 47 0.1088328108168581D-03 -0.8110658249909954D-04 -0.2280172563960487D-03 48 0.1718293124301041D-03 0.2378610598681317D-03 0.3772896515908896D-05 49 0.8023952579669788D-05 0.4283127459107091D-04 -0.4818794393600367D-04 50 0.6505845680879435D-04 0.2487467444412645D-04 0.1704862814622899D-04 51 -0.8716823273703723D-04 -0.5680974462402941D-04 0.6165318356300531D-04 52 Current Atomic Accelerations : 53 0.5623062692290404D-03 0.6615633625556750D-02 0.4667998894095615D-02 54 0.4467760638261116D-02 -0.1658252190281579D-01 0.1014915025162427D-02 55 -0.5043648323949745D-02 0.1211795281227795D-01 -0.1793584417433671D-02 56 0.8998811018211598D-02 -0.2697836285246217D-02 0.9665720269911896D-03 57 -0.7367702987135516D-03 -0.4753132138290095D-03 0.4604116267409294D-02 58 -0.2036223024999824D-02 -0.3414075330791722D-02 -0.9035950513199905D-02 59 -0.1932692566565327D-03 0.2753159912269269D-02 0.7551405735971350D-03 60 -0.5398852488747993D-02 -0.7713903166473890D-02 -0.8096281269131889D-02 61 0.1073289332536701D-02 0.2886329842415074D-01 0.1752720041696475D-02 62 -0.5809430254038285D-01 0.1044617841265510D+00 0.1154338023806133D-01 63 0.6392146855365931D-01 -0.9670786333049186D-02 0.1602234639541149D-01 64 0.1299546225062749D-01 -0.3371822005630038D-01 -0.2383650451360638D-01 65 -0.3406440652503070D-01 0.7052288219450477D-01 -0.9724217398417277D-02 66 -0.4277281727048154D-01 -0.8769012269084413D-01 0.3211720903338163D-01 67 0.1392657763252479D-01 0.5098556401139547D-01 -0.1254723357296281D+00 68 -0.1201697141962127D-01 -0.2155927923567418D-02 0.4606675375299545D-02 69 0.1098106228813753D-01 -0.1660229037466923D-02 -0.1662961136304460D-01 70 0.2208699479995766D-01 0.4845867296458343D-01 0.1657142892339510D+00 71 -0.3062112006998480D-01 -0.5844245123748071D-01 -0.1494210629160266D-01 72 0.1107926760582048D-03 0.1473161610017407D-01 -0.8397001340605779D-02 73 -0.2334552145584412D-02 -0.1709792733452888D-01 0.4363684404518082D-01 74 0.4742620657139444D-01 0.4279746186456693D-02 0.5954424331274253D-02 75 Alternate Atomic Accelerations : 76 -0.5124685854802517D-02 0.1202116436400971D-01 0.3294428990725496D-02 77 0.4056745097450302D-02 -0.1546325377899702D-01 0.1891858691576251D-02 78 -0.3019321845899074D-03 0.9040521885115138D-02 -0.5217905998111298D-02 79 0.1216245444259571D-02 -0.6526168889801287D-03 0.5428169303120889D-02 80 -0.1715928321037722D-02 0.2262820183030012D-02 0.8441048971643402D-03 81 -0.6486495747460830D-02 -0.1158638440691566D-02 -0.3089946599858410D-02 82 -0.2447713688747314D-02 -0.3146997668540452D-02 -0.2448711302287254D-02 83 -0.1921044634779149D-02 -0.6151755397838025D-02 -0.7224998756788420D-02 84 0.4614869643002833D-01 -0.4748370212802518D-01 0.8811334092168870D-02 85 -0.4382501385649199D-01 0.8049778051007014D-01 0.8957427169639201D-02 86 0.5366602414606002D-01 -0.1545623894793316D-01 0.1575448049708173D-01 87 -0.2307353704857941D-01 0.1707192015300589D-01 -0.8320927412984612D-02 88 0.2678888209633265D-01 0.1025464071997392D-01 -0.2775394646820648D-01 89 -0.1647320643925132D-01 -0.4657941153395227D-01 0.1587727508296015D-01 90 0.6558933275105592D-02 0.3489930302369966D-01 -0.7112681937226988D-01 91 0.1268549009319151D-01 -0.1858962452769489D-01 -0.3555644661916325D-02 92 0.5099746992242251D-01 -0.2079961786912351D-01 -0.8203984882074409D-02 93 0.1974501736696027D-01 0.2756911399939136D-01 0.8648706110684867D-01 94 0.6719725083541185D-02 0.1309472462216941D-01 0.1041066127052901D-01 95 -0.3018983992657859D-02 0.2164164687743123D-01 -0.1073329090158816D-01 96 -0.1167392980417498D-02 -0.1744663887826931D-01 0.4183491429533188D-01 97 0.1573372792255191D-01 0.1767586534811862D-05 0.1921623131220522D-01 98