1 ua 2624,539 compuesto Eteno 1,3 butadieno Benceno PM3 Hº ua Hº KJ/mol energia ua 0,080356899 210,8998153 0,128616312 337,5585269 0,141684501 371,8564986 REACCION ΔH KJ/mol ΔE KJ/mol 8,119636037 Fromacion Benceno ΔHf eteno ΔHf 1,3 butadieno 160,870364 52,47 108,8 82,65 Energia KJ/mol 69,58 129,84 98,13 HF3-21G Hº ua Hº KJ/mol energia ua Energia KJ/mol Hº ua -77,5420054 -203512,0173 -77,6009972 -203666,8436 -77,9730354 -153,962168 -404079,7144 -154,059435 -404334,9955 -154,822838 -229,3057 -601821,7526 -229,419445 -602120,2808 -230,590424 ΔH KJ/mol ΔE KJ/mol 118,6611822 115,8251053 50,32881782 HF6-31G Hº KJ/mol -204643,2724 -406338,5764 -605193,5608 ΔH KJ/mol ΔE KJ/mol 107,6486165 128,5727537 61,34138347 HF6-31G DFT/B3LYP/6-31G energia ua Energia KJ/mol Hº ua Hº KJ/mol energia ua Energia KJ/mol -78,0317179 -204797,2869 -78,5322477 -206110,9468 0,0134716405 35,35684589 -154,916434 -406584,2228 -155,901255 -409168,9239 0,0274931264 72,15678247 -230,703137 -605489,3805 -232,142619 -609267,3571 0,0266138159 69,84899777 ΔH KJ/mol ΔE KJ/mol 93,42597724 40,55081198 75,56402276