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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

B1B95/6-311G**


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0057   -0.0000 -0.0000 0.0057
C2 -0.3339 1.3492 0.4399   -0.9521 -1.0126 0.4399
C3 -1.0015 -0.9638 0.4399   -0.4009 1.3309 0.4399
C4 1.3354 -0.3854 0.4399   1.3530 -0.3183 0.4399
C5 0.2939 2.4229 -0.4303   -0.9308 -2.2562 -0.4303
C6 -2.2452 -0.9569 -0.4303   -1.4885 1.9342 -0.4303
C7 1.9513 -1.4659 -0.4303   2.4193 0.3219 -0.4303
H8 -1.4181 1.4586 0.3952   -1.9509 -0.5768 0.3952
H9 -0.0546 1.5021 1.4971   -0.7835 -1.2827 1.4971
H10 -0.5541 -1.9575 0.3952   0.4760 1.9779 0.3952
H11 -1.2735 -0.7983 1.4971   -0.7191 1.3199 1.4971
H12 1.9723 0.4988 0.3952   1.4749 -1.4011 0.3952
H13 1.3281 -0.7038 1.4971   1.5026 -0.0372 1.4971
H14 1.3835 2.3800 -0.4126   0.0400 -2.7526 -0.4126
H15 -0.0280 2.3029 -1.4644   -1.1527 -1.9939 -1.4644
H16 0.0000 3.4156 -0.0860   -1.6734 -2.9776 -0.0860
H17 -2.7529 0.0081 -0.4126   -2.4039 1.3416 -0.4126
H18 -1.9804 -1.1757 -1.4644   -1.1504 1.9952 -1.4644
H19 -2.9580 -1.7078 -0.0860   -1.7420 2.9380 -0.0860
H20 1.3694 -2.3881 -0.4126   2.3638 1.4110 -0.4126
H21 2.0084 -1.1272 -1.4644   2.3031 -0.0013 -1.4644
H22 2.9580 -1.7078 -0.0860   3.4154 0.0396 -0.0860
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 1.4562 1.4562 1.4562 2.4793 2.4793 2.4793 2.0713 2.1174 2.0713 2.1174 2.0713 2.1174 2.7845 2.7323 3.4168 2.7845 2.7323 3.4168 2.7845 2.7323 3.4168
C2 1.4562 2.4074 2.4074 1.5179 3.1190 3.7289 1.0906 1.1041 3.3143 2.5715 2.4584 2.8452 2.1769 2.1516 2.1583 2.8942 3.5654 4.0630 4.1947 3.9045 4.5231
C3 1.4562 2.4074 2.4074 3.7289 1.5179 3.1190 2.4584 2.8452 1.0906 1.1041 3.3143 2.5715 4.1947 3.9045 4.5231 2.1769 2.1516 2.1583 2.8942 3.5654 4.0630
C4 1.4562 2.4074 2.4074 3.1190 3.7289 1.5179 3.3143 2.5715 2.4584 2.8452 1.0906 1.1041 2.8942 3.5654 4.0630 4.1947 3.9045 4.5231 2.1769 2.1516 2.1583
C5 2.4793 1.5179 3.7289 3.1190 4.2273 4.2273 2.1313 2.1643 4.5374 4.0679 2.6833 3.8158 1.0906 1.0897 1.0911 3.8877 4.3808 5.2684 4.9298 4.0758 4.9273
C6 2.4793 3.1190 1.5179 3.7289 4.2273 4.2273 2.6833 3.8158 2.1313 2.1643 4.5374 4.0679 4.9298 4.0758 4.9273 1.0906 1.0897 1.0911 3.8877 4.3808 5.2684
C7 2.4793 3.7289 3.1190 1.5179 4.2273 4.2273 4.5374 4.0679 2.6833 3.8158 2.1313 2.1643 3.8877 4.3808 5.2684 4.9298 4.0758 4.9273 1.0906 1.0897 1.0911
H8 2.0713 1.0906 2.4584 3.3143 2.1313 2.6833 4.5374 1.7537 3.5236 2.5157 3.5236 3.6650 3.0579 2.4705 2.4643 2.1302 3.2732 3.5537 4.8188 4.6782 5.4230
H9 2.1174 1.1041 2.8452 2.5715 2.1643 3.8158 4.0679 1.7537 3.6650 2.6034 2.5157 2.6034 2.5467 3.0680 2.4841 3.6276 4.4328 4.6086 4.5616 4.4654 4.6782
H10 2.0713 3.3143 1.0906 2.4584 4.5374 2.1313 2.6833 3.5236 3.6650 1.7537 3.5236 2.5157 4.8188 4.6782 5.4230 3.0579 2.4705 2.4643 2.1302 3.2732 3.5537
H11 2.1174 2.5715 1.1041 2.8452 4.0679 2.1643 3.8158 2.5157 2.6034 1.7537 3.6650 2.6034 4.5616 4.4654 4.6782 2.5467 3.0680 2.4841 3.6276 4.4328 4.6086
H12 2.0713 2.4584 3.3143 1.0906 2.6833 4.5374 2.1313 3.5236 2.5157 3.5236 3.6650 1.7537 2.1302 3.2732 3.5537 4.8188 4.6782 5.4230 3.0579 2.4705 2.4643
H13 2.1174 2.8452 2.5715 1.1041 3.8158 4.0679 2.1643 3.6650 2.6034 2.5157 2.6034 1.7537 3.6276 4.4328 4.6086 4.5616 4.4654 4.6782 2.5467 3.0680 2.4841
H14 2.7845 2.1769 4.1947 2.8942 1.0906 4.9298 3.8877 3.0579 2.5467 4.8188 4.5616 2.1302 3.6276 1.7620 1.7588 4.7682 5.0065 5.9721 4.7682 3.7145 4.3927
H15 2.7323 2.1516 3.9045 3.5654 1.0897 4.0758 4.3808 2.4705 3.0680 4.6782 4.4654 3.2732 4.4328 1.7620 1.7717 3.7145 3.9890 5.1547 5.0065 3.9890 5.1867
H16 3.4168 2.1583 4.5231 4.0630 1.0911 4.9273 5.2684 2.4643 2.4841 5.4230 4.6782 3.5537 4.6086 1.7588 1.7717 4.3927 5.1867 5.9160 5.9721 5.1547 5.9160
H17 2.7845 2.8942 2.1769 4.1947 3.8877 1.0906 4.9298 2.1302 3.6276 3.0579 2.5467 4.8188 4.5616 4.7682 3.7145 4.3927 1.7620 1.7588 4.7682 5.0065 5.9721
H18 2.7323 3.5654 2.1516 3.9045 4.3808 1.0897 4.0758 3.2732 4.4328 2.4705 3.0680 4.6782 4.4654 5.0065 3.9890 5.1867 1.7620 1.7717 3.7145 3.9890 5.1547
H19 3.4168 4.0630 2.1583 4.5231 5.2684 1.0911 4.9273 3.5537 4.6086 2.4643 2.4841 5.4230 4.6782 5.9721 5.1547 5.9160 1.7588 1.7717 4.3927 5.1867 5.9160
H20 2.7845 4.1947 2.8942 2.1769 4.9298 3.8877 1.0906 4.8188 4.5616 2.1302 3.6276 3.0579 2.5467 4.7682 5.0065 5.9721 4.7682 3.7145 4.3927 1.7620 1.7588
H21 2.7323 3.9045 3.5654 2.1516 4.0758 4.3808 1.0897 4.6782 4.4654 3.2732 4.4328 2.4705 3.0680 3.7145 3.9890 5.1547 5.0065 3.9890 5.1867 1.7620 1.7717
H22 3.4168 4.5231 4.0630 2.1583 4.9273 5.2684 1.0911 5.4230 4.6782 3.5537 4.6086 2.4643 2.4841 4.3927 5.1867 5.9160 5.9721 5.1547 5.9160 1.7588 1.7717
Maximum atom distance is 5.9721Å 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 112.929 N1 C3 C6 112.929
N1 C4 C7 112.929 C2 N1 C3 111.508
C2 N1 C4 111.508 C3 N1 C4 111.508
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.981 N1 C2 H9 110.842
N1 C3 H10 107.981 N1 C3 H11 110.842
N1 C4 H12 107.981 N1 C4 H13 110.842
C2 C5 H14 112.094 C2 C5 H15 110.120
C2 C5 H16 110.565 C3 C6 H17 112.094
C3 C6 H18 110.120 C3 C6 H19 110.565
C4 C7 H20 112.094 C4 C7 H21 110.120
C4 C7 H22 110.565 C5 C2 H8 108.465
C5 C2 H9 110.263 C6 C3 H10 108.465
C6 C3 H11 110.263 C7 C4 H12 108.465
C7 C4 H13 110.263 H8 C2 H9 106.072
H10 C3 H11 106.072 H12 C4 H13 106.072
H14 C5 H15 107.830 H14 C5 H16 107.442
H15 C5 H16 108.668 H17 C6 H18 107.830
H17 C6 H19 107.442 H18 C6 H19 108.668
H20 C7 H21 107.830 H20 C7 H22 107.443
H21 C7 H22 108.668

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