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Geometry for C6H15N (triethylamine) 1A C3

1910171554
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 INChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N

B3LYP/cc-pVDZ


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0200   -0.0000 -0.0000 0.0200
C2 -0.3291 1.3649 0.4452   -0.8720 -1.1004 0.4452
C3 -1.0174 -0.9675 0.4452   1.3889 -0.2050 0.4452
C4 1.3466 -0.3974 0.4452   -0.5169 1.3053 0.4452
C5 0.3062 2.4389 -0.4380   -2.1094 -1.2620 -0.4380
C6 -2.2653 -0.9542 -0.4380   2.1476 -1.1958 -0.4380
C7 1.9590 -1.4847 -0.4380   -0.0382 2.4577 -0.4380
H8 -1.4227 1.4800 0.3966   -0.2886 -2.0326 0.3966
H9 -0.0512 1.5332 1.5120   -1.1758 -0.9853 1.5120
H10 -0.5703 -1.9721 0.3966   1.9046 0.7663 0.3966
H11 -1.3022 -0.8110 1.5120   1.4412 -0.5256 1.5120
H12 1.9931 0.4921 0.3966   -1.6159 1.2662 0.3966
H13 1.3534 -0.7222 1.5120   -0.2654 1.5109 1.5120
H14 1.4074 2.4053 -0.4086   -2.7616 -0.3741 -0.4086
H15 -0.0051 2.3072 -1.4864   -1.8138 -1.4260 -1.4864
H16 0.0000 3.4438 -0.1034   -2.7120 -2.1225 -0.1034
H17 -2.7868 0.0162 -0.4086   1.7048 -2.2045 -0.4086
H18 -1.9956 -1.1580 -1.4864   2.1418 -0.8578 -1.4864
H19 -2.9824 -1.7219 -0.1034   3.1941 -1.2874 -0.1034
H20 1.3794 -2.4215 -0.4086   1.0568 2.5787 -0.4086
H21 2.0006 -1.1492 -1.4864   -0.3280 2.2838 -1.4864
H22 2.9824 -1.7219 -0.1034   -0.4821 3.4099 -0.1034
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22
N1 1.4669 1.4669 1.4669 2.5003 2.5003 2.5003 2.0872 2.1400 2.0872 2.1400 2.0872 2.1400 2.8196 2.7555 3.4460 2.8196 2.7555 3.4460 2.8196 2.7555 3.4460
C2 1.4669 2.4318 2.4318 1.5288 3.1475 3.7597 1.1007 1.1153 3.3461 2.6114 2.4813 2.8853 2.1970 2.1735 2.1751 2.9305 3.5879 4.1072 4.2408 3.9344 4.5602
C3 1.4669 2.4318 2.4318 3.7597 1.5288 3.1475 2.4813 2.8853 1.1008 1.1153 3.3461 2.6114 4.2408 3.9344 4.5602 2.1970 2.1735 2.1751 2.9305 3.5879 4.1072
C4 1.4669 2.4318 2.4318 3.1475 3.7597 1.5288 3.3461 2.6114 2.4813 2.8853 1.1008 1.1153 2.9305 3.5879 4.1072 4.2408 3.9344 4.5602 2.1970 2.1735 2.1751
C5 2.5003 1.5288 3.7597 3.1475 4.2574 4.2574 2.1460 2.1796 4.5741 4.1172 2.7077 3.8590 1.1020 1.1015 1.1025 3.9290 4.3972 5.3141 4.9775 4.1042 4.9584
C6 2.5003 3.1475 1.5288 3.7597 4.2574 4.2574 2.7077 3.8590 2.1460 2.1796 4.5741 4.1172 4.9775 4.1042 4.9584 1.1020 1.1015 1.1025 3.9290 4.3972 5.3141
C7 2.5003 3.7597 3.1475 1.5288 4.2574 4.2574 4.5741 4.1172 2.7077 3.8590 2.1460 2.1796 3.9290 4.3972 5.3141 4.9775 4.1042 4.9584 1.1020 1.1015 1.1025
H8 2.0872 1.1007 2.4813 3.3461 2.1460 2.7077 4.5741 1.7686 3.5558 2.5509 3.5558 3.7150 3.0845 2.4980 2.4760 2.1568 3.2913 3.5965 4.8705 4.7094 5.4688
H9 2.1400 1.1153 2.8853 2.6114 2.1796 3.8590 4.1172 1.7686 3.7150 2.6571 2.5509 2.6571 2.5645 3.0971 2.5025 3.6706 4.4736 4.6687 4.6233 4.5162 4.7337
H10 2.0872 3.3461 1.1008 2.4813 4.5741 2.1460 2.7077 3.5558 3.7150 1.7686 3.5558 2.5509 4.8705 4.7094 5.4688 3.0845 2.4980 2.4760 2.1568 3.2913 3.5965
H11 2.1400 2.6114 1.1153 2.8853 4.1172 2.1796 3.8590 2.5509 2.6571 1.7686 3.7150 2.6571 4.6233 4.5162 4.7337 2.5645 3.0971 2.5025 3.6706 4.4736 4.6687
H12 2.0872 2.4813 3.3461 1.1008 2.7077 4.5741 2.1460 3.5558 2.5509 3.5558 3.7150 1.7686 2.1568 3.2913 3.5965 4.8705 4.7094 5.4688 3.0845 2.4980 2.4760
H13 2.1400 2.8853 2.6114 1.1153 3.8590 4.1172 2.1796 3.7150 2.6571 2.5509 2.6571 1.7686 3.6706 4.4736 4.6687 4.6233 4.5162 4.7337 2.5645 3.0971 2.5025
H14 2.8196 2.1970 4.2408 2.9305 1.1020 4.9775 3.9290 3.0845 2.5645 4.8705 4.6233 2.1568 3.6706 1.7794 1.7755 4.8269 5.0437 6.0330 4.8269 3.7615 4.4281
H15 2.7555 2.1735 3.9344 3.5879 1.1015 4.1042 4.3972 2.4980 3.0971 4.7094 4.5162 3.2913 4.4736 1.7794 1.7901 3.7615 3.9962 5.1972 5.0437 3.9962 5.2030
H16 3.4460 2.1751 4.5602 4.1072 1.1025 4.9584 5.3141 2.4760 2.5025 5.4688 4.7337 3.5965 4.6687 1.7755 1.7901 4.4281 5.2030 5.9648 6.0330 5.1972 5.9648
H17 2.8196 2.9305 2.1970 4.2408 3.9290 1.1020 4.9775 2.1568 3.6706 3.0845 2.5645 4.8705 4.6233 4.8269 3.7615 4.4281 1.7794 1.7755 4.8269 5.0437 6.0330
H18 2.7555 3.5879 2.1735 3.9344 4.3972 1.1015 4.1042 3.2913 4.4736 2.4980 3.0971 4.7094 4.5162 5.0437 3.9962 5.2030 1.7794 1.7901 3.7615 3.9962 5.1972
H19 3.4460 4.1072 2.1751 4.5602 5.3141 1.1025 4.9584 3.5965 4.6687 2.4760 2.5025 5.4688 4.7337 6.0330 5.1972 5.9648 1.7755 1.7901 4.4281 5.2030 5.9648
H20 2.8196 4.2408 2.9305 2.1970 4.9775 3.9290 1.1020 4.8705 4.6233 2.1568 3.6706 3.0845 2.5645 4.8269 5.0437 6.0330 4.8269 3.7615 4.4281 1.7794 1.7755
H21 2.7555 3.9344 3.5879 2.1735 4.1042 4.3972 1.1015 4.7094 4.5162 3.2913 4.4736 2.4980 3.0971 3.7615 3.9962 5.1972 5.0437 3.9962 5.2030 1.7794 1.7901
H22 3.4460 4.5602 4.1072 2.1751 4.9584 5.3141 1.1025 5.4688 4.7337 3.5965 4.6687 2.4760 2.5025 4.4281 5.2030 5.9648 6.0330 5.1972 5.9648 1.7755 1.7901
Maximum atom distance is 6.0330Å between atoms H16 and H20.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 113.141 N1 C3 C6 113.141
N1 C4 C7 113.141 C2 N1 C3 111.963
C2 N1 C4 111.963 C3 N1 C4 111.963
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.905 N1 C2 H9 111.210
N1 C3 H10 107.905 N1 C3 H11 111.210
N1 C4 H12 107.905 N1 C4 H13 111.210
C2 C5 H14 112.238 C2 C5 H15 110.389
C2 C5 H16 110.462 C3 C6 H17 112.238
C3 C6 H18 110.389 C3 C6 H19 110.462
C4 C7 H20 112.238 C4 C7 H21 110.389
C4 C7 H22 110.462 C5 C2 H8 108.298
C5 C2 H9 110.062 C6 C3 H10 108.298
C6 C3 H11 110.062 C7 C4 H12 108.298
C7 C4 H13 110.062 H8 C2 H9 105.899
H10 C3 H11 105.899 H12 C4 H13 105.899
H14 C5 H15 107.707 H14 C5 H16 107.289
H15 C5 H16 108.618 H17 C6 H18 107.707
H17 C6 H19 107.289 H18 C6 H19 108.619
H20 C7 H21 107.707 H20 C7 H22 107.289
H21 C7 H22 108.618

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.