# Total Energy along IRC # X-Axis: Intrinsic Reaction Coordinate # Y-Axis: Total Energy (Hartree) # X Y -14.2644800000 -0.0788716722 -13.9951300000 -0.0788315819 -13.7257800000 -0.0787839549 -13.4564300000 -0.0787286064 -13.1870900000 -0.0786653751 -12.9177400000 -0.0785941231 -12.6483900000 -0.0785147373 -12.3790500000 -0.0784271280 -12.1097000000 -0.0783312288 -11.8403500000 -0.0782269942 -11.5710000000 -0.0781143956 -11.3016600000 -0.0779934155 -11.0323100000 -0.0778640383 -10.7629700000 -0.0777262379 -10.4936300000 -0.0775799601 -10.2243000000 -0.0774251005 -9.9549700000 -0.0772614770 -9.6856500000 -0.0770887980 -9.4163400000 -0.0769066281 -9.1470300000 -0.0767143540 -8.8777400000 -0.0765111559 -8.6084500000 -0.0762959849 -8.3391800000 -0.0760675435 -8.0699200000 -0.0758242556 -7.8006700000 -0.0755641893 -7.5314600000 -0.0752848704 -7.2623000000 -0.0749828897 -6.9932100000 -0.0746531855 -6.7242200000 -0.0742879642 -6.4553100000 -0.0738755701 -6.1864200000 -0.0734001607 -5.9174900000 -0.0728428971 -5.6485100000 -0.0721838618 -5.3795200000 -0.0714025165 -5.1106200000 -0.0704745493 -4.8419900000 -0.0693622106 -4.5736700000 -0.0679959183 -4.3053700000 -0.0662655936 -4.0371200000 -0.0640385297 -3.7689800000 -0.0611476421 -3.5004400000 -0.0574000554 -3.2314500000 -0.0527141797 -2.9622400000 -0.0471934823 -2.6929600000 -0.0410678374 -2.4236400000 -0.0346267580 -2.1543200000 -0.0281850288 -1.8849900000 -0.0220664068 -1.6156700000 -0.0165856150 -1.3463400000 -0.0120119462 -1.0770300000 -0.0085117145 -0.8077400000 -0.0060987483 -0.5384800000 -0.0046400885 -0.2692700000 -0.0039222279 0.0000000000 -0.0037277629 0.2692600000 -0.0038730218 0.5385200000 -0.0042310128 0.8078000000 -0.0047082697 1.0771000000 -0.0052444774 1.3464100000 -0.0058000134 1.6157200000 -0.0063497749 1.8850400000 -0.0068785512 2.1543500000 -0.0073778354 2.4236700000 -0.0078435892 2.6929900000 -0.0082746728 2.9623200000 -0.0086717489 3.2316500000 -0.0090365312 3.5009800000 -0.0093712823 3.7703100000 -0.0096784880 4.0396500000 -0.0099606550 4.3089900000 -0.0102201901 4.5783300000 -0.0104593318 4.8476700000 -0.0106801150 5.1170200000 -0.0108843574 5.3863600000 -0.0110736587 5.6557100000 -0.0112494116 5.9250500000 -0.0114128201 6.1944000000 -0.0115649224 6.4637500000 -0.0117066185 6.7331000000 -0.0118386976 7.0024400000 -0.0119618647 7.2717900000 -0.0120767648 7.5411400000 -0.0121840023 7.8104800000 -0.0122841562 8.0798200000 -0.0123777890 8.3491500000 -0.0124654505 8.6184900000 -0.0125476748 8.8878100000 -0.0126249737 9.1571400000 -0.0126978253 9.4264600000 -0.0127666609 9.6957900000 -0.0128318535 9.9651100000 -0.0128937090 10.2344400000 -0.0129524635 10.5037600000 -0.0130082866 10.7730900000 -0.0130612920 11.0424200000 -0.0131115514 11.3117500000 -0.0131591119 11.5810800000 -0.0132040123 11.8504000000 -0.0132462976 12.1197200000 -0.0132860297