Optimized geometrical parameters B LYP

3.Bond lengths (Å)C1-C21.4207C1-C61.4226C1-C131.4527C2-C31.4028C2-H71.0844C3-C41.4079C3-H81.0895C4-C51.4082C4-O111.3999C5-C61.3984C5-H91.0854C6-H101.0888H7-O172.1268O11-H120.9790C13-N141.3680C13-N151.3908N14-O171.3507N14-C191.4179N15-H161.0085N15-C181.3999C18-C191.3830C18-C211.4988C19-C201.4922C20-H231.0950C20-H241.0970C21-H251.0939C21-H261.0991C21-H271.0991C20-H221.0970Bond angles (?)C2-C1-C6118.3C2-C1-C13120.9C6-C1-C13120.8C1-C2-C3120.4C1-C2-H7118.1C3-C2-H7121.4C2-C3-C4120.3C2-C3-H8119.5C4-C3-H8120.2C3-C4-C5120.2C3-C4-O11123.0C5-C4-O11116.8C4-C5-C6119.5C4-C5-H9119.0C6-C5-H9121.5C1-C6-C5121.3C1-C6-H10120.9C5-C6-H10117.8C4-O11-H12112.0C1-C13-N14127.7C1-C13-N15126.3N14-C13-N15111.8C13-N14-O17127.3C13-N14-C19109.8O17-N14-C19122.9C13-N15-H16124.5C13-N15-C18110.4H16-N15-C18125.1N15-C18-C19106.5N15-C18-C21122.2C19-C18-C21131.2N14-C19-C18108.6N14-C19-C20119.6C18-C19-C20133.1C19-C20-H22110.6C19-C20-H23111.1C19-C20-H24110.6H22-C20-H23109.0H22-C20-H24106.5H23-C20-H24109.0C18-C21-H25110.2C18-C21-H26111.8C18-C21-H27111.8H25-C21-H26107.5H25-C21-H27107.5H26-C21-H27107.8Dihedral ribosomal RNA angles (?)C6-C1-C2-H7179.9C13-C1-C2-C3179.9C2-C1-C6-H10180.0C13-C1-C6-C5−179.9C2-C1-C13-N15−180.0C6-C1-C13-N14−180.0C1-C2-C3-H8−179.9H7-C2-C3-C4−180.0C2-C3-C4-O11−179.9H8-C3-C4-C5−180.0C3-C4-C5-H9−180.0O11-C4-C5-C6179.9C5-C4-O11-H12180.0C4-C5-C6-H10−179.9H9-C5-C6-C1180.0C1-C13-N14-C19179.9N15-C13-N14-O17−179.9C1-C13-N15-C18−179.9N14-C13-N15-H16180.0C13-N1-C19-C20180.0O17-N14-C19-C18179.9C13-N15-C18-C21−179.9H16-N15-C18-C19179.9N15-C18-C19-N14−180.0C21-C18-C19-N14179.9N15-C18-C21-H25−179.9N15-C18-C21-H26−60.4N15-C18-C21-H2760.5C19-C18-C21-H26119.5C19-C18-C21-H27−119.4N14-C19-C20-H2258.7N14-C19-C20-H23179.9N14-C19-C20-H24−58.8C18-C19-C20-H22−121.2C18-C19-C20-H24121.1Full-size tableTable optionsView in workspaceDownload as CSV