# Total Energy along IRC # X-Axis: Intrinsic Reaction Coordinate # Y-Axis: Total Energy (Hartree) # X Y -14.4128800000 -0.0133894494 -14.1685900000 -0.0133515262 -13.9243000000 -0.0133107895 -13.6800000000 -0.0132671398 -13.4357100000 -0.0132204886 -13.1914100000 -0.0131707590 -12.9471100000 -0.0131178860 -12.7028100000 -0.0130618170 -12.4585100000 -0.0130025116 -12.2142100000 -0.0129399411 -11.9699000000 -0.0128740880 -11.7256000000 -0.0128049449 -11.4813000000 -0.0127325122 -11.2369900000 -0.0126567961 -10.9926900000 -0.0125778061 -10.7483800000 -0.0124955507 -10.5040800000 -0.0124100330 -10.2597700000 -0.0123212455 -10.0154700000 -0.0122291641 -9.7711700000 -0.0121337410 -9.5268600000 -0.0120348973 -9.2825600000 -0.0119325139 -9.0382500000 -0.0118264227 -8.7939500000 -0.0117163963 -8.5496400000 -0.0116021378 -8.3053400000 -0.0114832700 -8.0610300000 -0.0113593254 -7.8167300000 -0.0112297341 -7.5724300000 -0.0110938160 -7.3281300000 -0.0109507720 -7.0838300000 -0.0107996781 -6.8395200000 -0.0106394813 -6.5952200000 -0.0104689988 -6.3509200000 -0.0102869193 -6.1066100000 -0.0100918052 -5.8623100000 -0.0098820916 -5.6180100000 -0.0096560792 -5.3737100000 -0.0094119127 -5.1294100000 -0.0091475407 -4.8851200000 -0.0088606564 -4.6408400000 -0.0085486226 -4.3965600000 -0.0082083937 -4.1523000000 -0.0078364553 -3.9080400000 -0.0074287980 -3.6637900000 -0.0069809422 -3.4195500000 -0.0064880249 -3.1753100000 -0.0059449669 -2.9310700000 -0.0053467553 -2.6868300000 -0.0046888876 -2.4425800000 -0.0039680123 -2.1983300000 -0.0031827758 -1.9540800000 -0.0023348694 -1.7098100000 -0.0014302909 -1.4655400000 -0.0004809004 -1.2212700000 0.0004935309 -0.9770000000 0.0014624877 -0.7327300000 0.0023805436 -0.4884700000 0.0031811681 -0.2442500000 0.0037683360 0.0000000000 0.0040017371 0.2442600000 0.0037002241 0.4884800000 0.0026364123 0.7327400000 0.0006104478 0.9770200000 -0.0024638840 1.2212900000 -0.0065129246 1.4655700000 -0.0113507241 1.7098400000 -0.0167586978 1.9541100000 -0.0225341831 2.1983800000 -0.0285043232 2.4426600000 -0.0345236533 2.6869300000 -0.0404677161 2.9312000000 -0.0462273991 3.1754700000 -0.0517052342 3.4197300000 -0.0568139935 3.6639700000 -0.0614774922 3.9081700000 -0.0656342177 4.1523100000 -0.0692443065 4.3963300000 -0.0722999047 4.6402000000 -0.0748355076 4.8839700000 -0.0769272689 5.1278000000 -0.0786695456 5.3717800000 -0.0801419788 5.6158300000 -0.0813977479 5.8598700000 -0.0824739298 6.1038500000 -0.0834032945 6.3478000000 -0.0842184550 6.5917700000 -0.0849502640 6.8358200000 -0.0856243061 7.0799600000 -0.0862588004 7.3241600000 -0.0868650982 7.5684200000 -0.0874496347 7.8126900000 -0.0880158904 8.0569800000 -0.0885657357 8.3012800000 -0.0891002101 8.5455800000 -0.0896199352 8.7898800000 -0.0901253240 9.0341800000 -0.0906166842 9.2784800000 -0.0910942698 9.5227900000 -0.0915583067 9.7670900000 -0.0920090054 10.0113900000 -0.0924465680 10.2557000000 -0.0928711921 10.5000000000 -0.0932830725 10.7443000000 -0.0936824032 10.9886100000 -0.0940693773 11.2329100000 -0.0944441882 11.4772100000 -0.0948070292 11.7215200000 -0.0951580943 11.9658200000 -0.0954975775 12.2101300000 -0.0958256736 12.4544300000 -0.0961425771 12.6987300000 -0.0964484829 12.9430400000 -0.0967435857 13.1873400000 -0.0970280800 13.4316500000 -0.0973021596 13.6759500000 -0.0975660176 13.9202500000 -0.0978198461 14.1645600000 -0.0980638359 14.4088600000 -0.0982981762 14.6531700000 -0.0985230543 14.8974700000 -0.0987386554 15.1417700000 -0.0989451614 15.3860800000 -0.0991427532 15.6303800000 -0.0993316075 15.8746800000 -0.0995118981 16.1189900000 -0.0996837949 16.3632900000 -0.0998474637 16.6075900000 -0.1000030664 16.8519000000 -0.1001507601 17.0962000000 -0.1002906975 17.3405000000 -0.1004230258 17.5848100000 -0.1005478873 17.8291100000 -0.1006654186 18.0734200000 -0.1007757506 18.3177200000 -0.1008790080 18.5620200000 -0.1009753096 18.8063300000 -0.1010647677 19.0506300000 -0.1011474880 19.2949400000 -0.1012235694 19.5392400000 -0.1012931042 19.7835500000 -0.1013561775 20.0278500000 -0.1014128670 20.2721600000 -0.1014632436 20.5164700000 -0.1015073705 20.7607800000 -0.1015453034