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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/Def2TZVPP


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0445   0.0000 0.0000 0.0445
C2 -0.3303 1.3662 0.4522   0.2856 1.3762 0.4522
C3 -1.0181 -0.9691 0.4522   1.0491 -0.9355 0.4522
C4 1.3483 -0.3971 0.4522   -1.3347 -0.4408 0.4522
C5 0.2889 2.4317 -0.4496   -0.3679 2.4210 -0.4496
C6 -2.2503 -0.9656 -0.4496   2.2806 -0.8919 -0.4496
C7 1.9614 -1.4660 -0.4496   -1.9127 -1.5291 -0.4496
H8 -1.4142 1.4778 0.4203   1.3653 1.5230 0.4203
H9 -0.0361 1.5468 1.4996   -0.0142 1.5472 1.4996
H10 -0.5727 -1.9636 0.4203   0.6363 -1.9439 0.4203
H11 -1.3215 -0.8047 1.4996   1.3470 -0.7613 1.4996
H12 1.9869 0.4858 0.4203   -2.0016 0.4209 0.4203
H13 1.3576 -0.7421 1.4996   -1.3328 -0.7859 1.4996
H14 1.3785 2.3874 -0.4468   -1.4555 2.3413 -0.4468
H15 -0.0492 2.2977 -1.4772   -0.0256 2.2981 -1.4772
H16 0.0000 3.4300 -0.1151   -0.1116 3.4282 -0.1151
H17 -2.7568 0.0001 -0.4468   2.7554 0.0898 -0.4468
H18 -1.9653 -1.1914 -1.4772   2.0030 -1.1268 -1.4772
H19 -2.9704 -1.7150 -0.1151   3.0247 -1.6174 -0.1151
H20 1.3783 -2.3875 -0.4468   -1.2999 -2.4311 -0.4468
H21 2.0145 -1.1063 -1.4772   -1.9774 -1.1712 -1.4772
H22 2.9704 -1.7150 -0.1151   -2.9130 -1.8108 -0.1151
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 1.4635 1.4635 1.4635 2.4981 2.4981 2.4981 2.0796 2.1240 2.0796 2.1240 2.0796 2.1240 2.8003 2.7563 3.4337 2.8003 2.7563 3.4337 2.8003 2.7563 3.4337
C2 1.4635 2.4345 2.4345 1.5270 3.1524 3.7532 1.0901 1.1028 3.3388 2.6063 2.4789 2.8967 2.1842 2.1608 2.1656 2.9262 3.5969 4.0971 4.2212 3.9158 4.5509
C3 1.4635 2.4345 2.4345 3.7532 1.5270 3.1524 2.4789 2.8967 1.0901 1.1028 3.3388 2.6063 4.2212 3.9158 4.5509 2.1843 2.1608 2.1656 2.9262 3.5969 4.0971
C4 1.4635 2.4345 2.4345 3.1524 3.7532 1.5270 3.3388 2.6063 2.4789 2.8967 1.0901 1.1028 2.9262 3.5969 4.0971 4.2212 3.9158 4.5509 2.1842 2.1608 2.1656
C5 2.4981 1.5270 3.7532 3.1524 4.2414 4.2414 2.1371 2.1652 4.5626 4.1069 2.7251 3.8749 1.0905 1.0900 1.0918 3.8973 4.3891 5.2849 4.9408 4.0682 4.9495
C6 2.4981 3.1524 1.5270 3.7532 4.2414 4.2414 2.7251 3.8749 2.1371 2.1652 4.5626 4.1069 4.9408 4.0682 4.9495 1.0905 1.0900 1.0918 3.8973 4.3891 5.2849
C7 2.4981 3.7532 3.1524 1.5270 4.2414 4.2414 4.5626 4.1069 2.7251 3.8749 2.1371 2.1652 3.8973 4.3891 5.2849 4.9408 4.0682 4.9495 1.0905 1.0900 1.0918
H8 2.0796 1.0901 2.4789 3.3388 2.1371 2.7251 4.5626 1.7518 3.5427 2.5265 3.5427 3.7116 3.0624 2.4771 2.4693 2.1767 3.3210 3.5920 4.8467 4.6939 5.4502
H9 2.1240 1.1028 2.8967 2.6063 2.1652 3.8749 4.1069 1.7518 3.7116 2.6799 2.5265 2.6799 2.5488 3.0701 2.4809 3.6855 4.4812 4.6751 4.6118 4.4839 4.7208
H10 2.0796 3.3388 1.0901 2.4789 4.5626 2.1371 2.7251 3.5427 3.7116 1.7518 3.5427 2.5265 4.8467 4.6939 5.4502 3.0624 2.4771 2.4693 2.1767 3.3210 3.5920
H11 2.1240 2.6063 1.1028 2.8967 4.1069 2.1652 3.8749 2.5265 2.6799 1.7518 3.7116 2.6799 4.6118 4.4839 4.7208 2.5488 3.0701 2.4809 3.6855 4.4812 4.6751
H12 2.0796 2.4789 3.3388 1.0901 2.7251 4.5626 2.1371 3.5427 2.5265 3.5427 3.7116 1.7518 2.1767 3.3210 3.5920 4.8467 4.6939 5.4502 3.0624 2.4771 2.4693
H13 2.1240 2.8967 2.6063 1.1028 3.8749 4.1069 2.1652 3.7116 2.6799 2.5265 2.6799 1.7518 3.6855 4.4812 4.6751 4.6118 4.4839 4.7208 2.5488 3.0701 2.4809
H14 2.8003 2.1842 4.2212 2.9262 1.0905 4.9408 3.8973 3.0624 2.5488 4.8467 4.6118 2.1767 3.6855 1.7629 1.7599 4.7750 5.0051 5.9878 4.7750 3.6976 4.4130
H15 2.7563 2.1608 3.9158 3.5969 1.0900 4.0682 4.3891 2.4771 3.0701 4.6939 4.4839 3.3210 4.4812 1.7629 1.7719 3.6976 3.9806 5.1469 5.0051 3.9806 5.2034
H16 3.4337 2.1656 4.5509 4.0971 1.0918 4.9495 5.2849 2.4693 2.4809 5.4502 4.7208 3.5920 4.6751 1.7599 1.7719 4.4130 5.2034 5.9409 5.9878 5.1469 5.9409
H17 2.8003 2.9262 2.1843 4.2212 3.8973 1.0905 4.9408 2.1767 3.6855 3.0624 2.5488 4.8467 4.6118 4.7750 3.6976 4.4130 1.7629 1.7599 4.7750 5.0051 5.9878
H18 2.7563 3.5969 2.1608 3.9158 4.3891 1.0900 4.0682 3.3210 4.4812 2.4771 3.0701 4.6939 4.4839 5.0051 3.9806 5.2034 1.7629 1.7719 3.6976 3.9806 5.1469
H19 3.4337 4.0971 2.1656 4.5509 5.2849 1.0918 4.9495 3.5920 4.6751 2.4693 2.4809 5.4502 4.7208 5.9878 5.1469 5.9409 1.7599 1.7719 4.4130 5.2034 5.9409
H20 2.8003 4.2212 2.9262 2.1842 4.9408 3.8973 1.0905 4.8467 4.6118 2.1767 3.6855 3.0624 2.5488 4.7750 5.0051 5.9878 4.7750 3.6976 4.4130 1.7629 1.7599
H21 2.7563 3.9158 3.5969 2.1608 4.0682 4.3891 1.0900 4.6939 4.4839 3.3210 4.4812 2.4771 3.0701 3.6976 3.9806 5.1469 5.0051 3.9806 5.2034 1.7629 1.7719
H22 3.4337 4.5509 4.0971 2.1656 4.9495 5.2849 1.0918 5.4502 4.7208 3.5920 4.6751 2.4693 2.4809 4.4130 5.2034 5.9409 5.9878 5.1469 5.9409 1.7599 1.7719
Maximum atom distance is 5.9878Å 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 113.285 N1 C3 C6 113.285
N1 C4 C7 113.285 C2 N1 C3 112.555
C2 N1 C4 112.555 C3 N1 C4 112.555
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.164 N1 C2 H9 110.934
N1 C3 H10 108.164 N1 C3 H11 110.934
N1 C4 H12 108.164 N1 C4 H13 110.934
C2 C5 H14 112.044 C2 C5 H15 110.197
C2 C5 H16 110.472 C3 C6 H17 112.044
C3 C6 H18 110.197 C3 C6 H19 110.472
C4 C7 H20 112.044 C4 C7 H21 110.197
C4 C7 H22 110.472 C5 C2 H8 108.329
C5 C2 H9 109.788 C6 C3 H10 108.328
C6 C3 H11 109.788 C7 C4 H12 108.329
C7 C4 H13 109.788 H8 C2 H9 106.035
H10 C3 H11 106.035 H12 C4 H13 106.035
H14 C5 H15 107.899 H14 C5 H16 107.498
H15 C5 H16 108.612 H17 C6 H18 107.899
H17 C6 H19 107.498 H18 C6 H19 108.612
H20 C7 H21 107.899 H20 C7 H22 107.498
H21 C7 H22 108.612

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