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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/TZVP


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0186   0.0000 -0.0000 0.0186
C2 -0.3350 1.3638 0.4400   0.4816 -1.3192 0.4400
C3 -1.0136 -0.9720 0.4400   -1.3832 0.2425 0.4400
C4 1.3486 -0.3917 0.4400   0.9016 1.0767 0.4400
C5 0.3018 2.4416 -0.4332   1.6110 -1.8594 -0.4332
C6 -2.2654 -0.9595 -0.4332   -2.4158 -0.4655 -0.4332
C7 1.9636 -1.4822 -0.4332   0.8048 2.3248 -0.4332
H8 -1.4186 1.4758 0.3840   -0.3557 -2.0159 0.3840
H9 -0.0643 1.5273 1.4989   0.7976 -1.3041 1.4989
H10 -0.5688 -1.9664 0.3840   -1.5680 1.3160 0.3840
H11 -1.2905 -0.8193 1.4989   -1.5281 -0.0387 1.4989
H12 1.9874 0.4906 0.3840   1.9237 0.6999 0.3840
H13 1.3548 -0.7080 1.4989   0.7306 1.3427 1.4989
H14 1.3924 2.4045 -0.4065   2.4960 -1.2209 -0.4065
H15 -0.0124 2.3235 -1.4716   1.2843 -1.9364 -1.4716
H16 0.0000 3.4341 -0.0892   1.9133 -2.8517 -0.0892
H17 -2.7786 0.0036 -0.4065   -2.3053 -1.5511 -0.4065
H18 -2.0060 -1.1725 -1.4716   -2.3191 -0.1440 -1.4716
H19 -2.9740 -1.7170 -0.0892   -3.4263 -0.2312 -0.0892
H20 1.3862 -2.4081 -0.4065   -0.1907 2.7720 -0.4065
H21 2.0184 -1.1510 -1.4716   1.0348 2.0804 -1.4716
H22 2.9740 -1.7170 -0.0892   1.5129 3.0828 -0.0892
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 1.4662 1.4662 1.4662 2.5013 2.5013 2.5013 2.0794 2.1279 2.0794 2.1279 2.0794 2.1279 2.8109 2.7603 3.4357 2.8109 2.7603 3.4357 2.8109 2.7603 3.4357
C2 1.4662 2.4324 2.4324 1.5264 3.1442 3.7611 1.0907 1.1052 3.3389 2.6077 2.4818 2.8756 2.1872 2.1632 2.1629 2.9219 3.5887 4.0909 4.2316 3.9392 4.5520
C3 1.4662 2.4324 2.4324 3.7611 1.5264 3.1442 2.4818 2.8756 1.0907 1.1052 3.3389 2.6077 4.2316 3.9392 4.5520 2.1872 2.1632 2.1629 2.9219 3.5887 4.0909
C4 1.4662 2.4324 2.4324 3.1442 3.7611 1.5264 3.3389 2.6077 2.4818 2.8756 1.0907 1.1052 2.9219 3.5887 4.0909 4.2316 3.9392 4.5520 2.1872 2.1632 2.1629
C5 2.5013 1.5264 3.7611 3.1442 4.2612 4.2612 2.1354 2.1687 4.5669 4.1112 2.7047 3.8421 1.0916 1.0913 1.0929 3.9285 4.4120 5.3050 4.9696 4.1148 4.9551
C6 2.5013 3.1442 1.5264 3.7611 4.2612 4.2612 2.7047 3.8421 2.1354 2.1687 4.5669 4.1112 4.9696 4.1148 4.9551 1.0916 1.0913 1.0929 3.9285 4.4120 5.3050
C7 2.5013 3.7611 3.1442 1.5264 4.2612 4.2612 4.5669 4.1112 2.7047 3.8421 2.1354 2.1687 3.9285 4.4120 5.3050 4.9696 4.1148 4.9551 1.0916 1.0913 1.0929
H8 2.0794 1.0907 2.4818 3.3389 2.1354 2.7047 4.5669 1.7550 3.5456 2.5548 3.5456 3.7018 3.0641 2.4776 2.4639 2.1545 3.2866 3.5829 4.8556 4.7070 5.4509
H9 2.1279 1.1052 2.8756 2.6077 2.1687 3.8421 4.1112 1.7550 3.7018 2.6477 2.5548 2.6477 2.5539 3.0758 2.4823 3.6496 4.4590 4.6383 4.6067 4.5094 4.7200
H10 2.0794 3.3389 1.0907 2.4818 4.5669 2.1354 2.7047 3.5456 3.7018 1.7550 3.5456 2.5548 4.8556 4.7070 5.4509 3.0641 2.4776 2.4639 2.1545 3.2866 3.5829
H11 2.1279 2.6077 1.1052 2.8756 4.1112 2.1687 3.8421 2.5548 2.6477 1.7550 3.7018 2.6477 4.6067 4.5094 4.7200 2.5539 3.0758 2.4823 3.6496 4.4590 4.6383
H12 2.0794 2.4818 3.3389 1.0907 2.7047 4.5669 2.1354 3.5456 2.5548 3.5456 3.7018 1.7550 2.1545 3.2866 3.5829 4.8556 4.7070 5.4509 3.0641 2.4776 2.4639
H13 2.1279 2.8756 2.6077 1.1052 3.8421 4.1112 2.1687 3.7018 2.6477 2.5548 2.6477 1.7550 3.6496 4.4590 4.6383 4.6067 4.5094 4.7200 2.5539 3.0758 2.4823
H14 2.8109 2.1872 4.2316 2.9219 1.0916 4.9696 3.9285 3.0641 2.5539 4.8556 4.6067 2.1545 3.6496 1.7648 1.7605 4.8127 5.0477 6.0128 4.8127 3.7640 4.4260
H15 2.7603 2.1632 3.9392 3.5887 1.0913 4.1148 4.4120 2.4776 3.0758 4.7070 4.5094 3.2866 4.4590 1.7648 1.7733 3.7640 4.0245 5.1969 5.0477 4.0245 5.2111
H16 3.4357 2.1629 4.5520 4.0909 1.0929 4.9551 5.3050 2.4639 2.4823 5.4509 4.7200 3.5829 4.6383 1.7605 1.7733 4.4260 5.2111 5.9480 6.0128 5.1969 5.9480
H17 2.8109 2.9219 2.1872 4.2316 3.9285 1.0916 4.9696 2.1545 3.6496 3.0641 2.5539 4.8556 4.6067 4.8127 3.7640 4.4260 1.7648 1.7605 4.8127 5.0477 6.0128
H18 2.7603 3.5887 2.1632 3.9392 4.4120 1.0913 4.1148 3.2866 4.4590 2.4776 3.0758 4.7070 4.5094 5.0477 4.0245 5.2111 1.7648 1.7733 3.7640 4.0245 5.1969
H19 3.4357 4.0909 2.1629 4.5520 5.3050 1.0929 4.9551 3.5829 4.6383 2.4639 2.4823 5.4509 4.7200 6.0128 5.1969 5.9480 1.7605 1.7733 4.4260 5.2111 5.9480
H20 2.8109 4.2316 2.9219 2.1872 4.9696 3.9285 1.0916 4.8556 4.6067 2.1545 3.6496 3.0641 2.5539 4.8127 5.0477 6.0128 4.8127 3.7640 4.4260 1.7648 1.7605
H21 2.7603 3.9392 3.5887 2.1632 4.1148 4.4120 1.0913 4.7070 4.5094 3.2866 4.4590 2.4776 3.0758 3.7640 4.0245 5.1969 5.0477 4.0245 5.2111 1.7648 1.7733
H22 3.4357 4.5520 4.0909 2.1629 4.9551 5.3050 1.0929 5.4509 4.7200 3.5829 4.6383 2.4639 2.4823 4.4260 5.2111 5.9480 6.0128 5.1969 5.9480 1.7605 1.7733
Maximum atom distance is 6.0128Å between atoms H14 and H19.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 113.395 N1 C3 C6 113.395
N1 C4 C7 113.395 C2 N1 C3 112.092
C2 N1 C4 112.092 C3 N1 C4 112.092
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.925 N1 C2 H9 110.917
N1 C3 H10 107.925 N1 C3 H11 110.917
N1 C4 H12 107.925 N1 C4 H13 110.917
C2 C5 H14 112.263 C2 C5 H15 110.353
C2 C5 H16 110.240 C3 C6 H17 112.263
C3 C6 H18 110.353 C3 C6 H19 110.240
C4 C7 H20 112.263 C4 C7 H21 110.353
C4 C7 H22 110.240 C5 C2 H8 108.212
C5 C2 H9 109.967 C6 C3 H10 108.212
C6 C3 H11 109.967 C7 C4 H12 108.212
C7 C4 H13 109.967 H8 C2 H9 106.106
H10 C3 H11 106.106 H12 C4 H13 106.106
H14 C5 H15 107.896 H14 C5 H16 107.400
H15 C5 H16 108.560 H17 C6 H18 107.896
H17 C6 H19 107.400 H18 C6 H19 108.560
H20 C7 H21 107.896 H20 C7 H22 107.400
H21 C7 H22 108.560

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