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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

MP2/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 0.0188   0.0000 -0.0000 0.0188
C2 0.3379 1.3470 -0.4400   -1.3837 -0.1180 -0.4400
C3 0.9976 -0.9661 -0.4400   0.5897 1.2573 -0.4400
C4 -1.3355 -0.3809 -0.4400   0.7941 -1.1393 -0.4400
C5 -0.2864 2.4305 0.4257   -2.2057 -1.0603 0.4257
C6 2.2480 -0.9673 0.4257   0.1846 2.4403 0.4257
C7 -1.9617 -1.4632 0.4257   2.0211 -1.3800 0.4257
H8 1.4221 1.4564 -0.3990   -1.8393 0.8719 -0.3990
H9 0.0455 1.4821 -1.4957   -1.4165 -0.4384 -1.4957
H10 0.5502 -1.9598 -0.3990   1.6748 1.1570 -0.3990
H11 1.2608 -0.7804 -1.4957   0.3286 1.4459 -1.4957
H12 -1.9723 0.5034 -0.3990   0.1646 -2.0289 -0.3990
H13 -1.3062 -0.7017 -1.4957   1.0879 -1.0075 -1.4957
H14 -1.3748 2.3762 0.4196   -1.8008 -2.0720 0.4196
H15 0.0542 2.3226 1.4551   -2.2143 -0.7032 1.4551
H16 0.0000 3.4188 0.0616   -3.2334 -1.1105 0.0616
H17 2.7452 0.0025 0.4196   -0.8940 2.5956 0.4196
H18 1.9844 -1.2082 1.4551   0.4982 2.2692 1.4551
H19 2.9608 -1.7094 0.0616   0.6550 3.3555 0.0616
H20 -1.3704 -2.3787 0.4196   2.6948 -0.5235 0.4196
H21 -2.0385 -1.1144 1.4551   1.7161 -1.5660 1.4551
H22 -2.9608 -1.7094 0.0616   2.5784 -2.2450 0.0616
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 1.4626 1.4626 1.4626 2.4809 2.4809 2.4809 2.0780 2.1195 2.0780 2.1195 2.0780 2.1195 2.7743 2.7314 3.4191 2.7743 2.7314 3.4191 2.7743 2.7314 3.4191
C2 1.4626 2.4054 2.4054 1.5208 3.1232 3.7330 1.0905 1.1038 3.3139 2.5480 2.4597 2.8310 2.1751 2.1502 2.1582 2.8883 3.5821 4.0587 4.1879 3.9112 4.5248
C3 1.4626 2.4054 2.4054 3.7330 1.5208 3.1232 2.4597 2.8310 1.0905 1.1038 3.3139 2.5480 4.1879 3.9112 4.5248 2.1751 2.1502 2.1582 2.8883 3.5821 4.0587
C4 1.4626 2.4054 2.4054 3.1232 3.7330 1.5208 3.3139 2.5480 2.4597 2.8310 1.0905 1.1038 2.8883 3.5821 4.0587 4.1879 3.9112 4.5248 2.1751 2.1502 2.1582
C5 2.4809 1.5208 3.7330 3.1232 4.2388 4.2388 2.1326 2.1683 4.5447 4.0491 2.6901 3.8135 1.0898 1.0896 1.0915 3.8840 4.4109 5.2740 4.9298 4.0861 4.9420
C6 2.4809 3.1232 1.5208 3.7330 4.2388 4.2388 2.6901 3.8135 2.1326 2.1683 4.5447 4.0491 4.9298 4.0861 4.9420 1.0898 1.0896 1.0915 3.8840 4.4109 5.2740
C7 2.4809 3.7330 3.1232 1.5208 4.2388 4.2388 4.5447 4.0491 2.6901 3.8135 2.1326 2.1683 3.8840 4.4109 5.2740 4.9298 4.0861 4.9420 1.0898 1.0896 1.0915
H8 2.0780 1.0905 2.4597 3.3139 2.1326 2.6901 4.5447 1.7603 3.5257 2.4964 3.5257 3.6474 3.0559 2.4615 2.4669 2.1295 3.2945 3.5499 4.8142 4.6928 5.4262
H9 2.1195 1.1038 2.8310 2.5480 2.1683 3.8135 4.0491 1.7603 3.6474 2.5682 2.4964 2.5682 2.5466 3.0682 2.4856 3.6258 4.4389 4.5945 4.5364 4.4488 4.6527
H10 2.0780 3.3139 1.0905 2.4597 4.5447 2.1326 2.6901 3.5257 3.6474 1.7603 3.5257 2.4964 4.8142 4.6928 5.4262 3.0559 2.4615 2.4669 2.1295 3.2945 3.5499
H11 2.1195 2.5480 1.1038 2.8310 4.0491 2.1683 3.8135 2.4964 2.5682 1.7603 3.6474 2.5682 4.5364 4.4488 4.6527 2.5466 3.0682 2.4856 3.6258 4.4390 4.5945
H12 2.0780 2.4597 3.3139 1.0905 2.6901 4.5447 2.1326 3.5257 2.4964 3.5257 3.6474 1.7603 2.1295 3.2945 3.5499 4.8142 4.6928 5.4262 3.0559 2.4615 2.4669
H13 2.1195 2.8310 2.5480 1.1038 3.8135 4.0491 2.1683 3.6474 2.5682 2.4964 2.5682 1.7603 3.6258 4.4389 4.5945 4.5364 4.4488 4.6527 2.5466 3.0682 2.4856
H14 2.7743 2.1751 4.1879 2.8883 1.0898 4.9298 3.8840 3.0559 2.5466 4.8142 4.5364 2.1295 3.6258 1.7655 1.7622 4.7549 5.0204 5.9680 4.7549 3.7009 4.3972
H15 2.7314 2.1502 3.9112 3.5821 1.0896 4.0861 4.4109 2.4615 3.0682 4.6928 4.4488 3.2945 4.4389 1.7655 1.7738 3.7009 4.0240 5.1621 5.0204 4.0240 5.2239
H16 3.4191 2.1582 4.5248 4.0587 1.0915 4.9420 5.2740 2.4669 2.4856 5.4262 4.6527 3.5499 4.5945 1.7622 1.7738 4.3972 5.2239 5.9215 5.9680 5.1621 5.9215
H17 2.7743 2.8883 2.1751 4.1879 3.8840 1.0898 4.9298 2.1295 3.6258 3.0559 2.5466 4.8142 4.5364 4.7549 3.7009 4.3972 1.7655 1.7622 4.7549 5.0204 5.9680
H18 2.7314 3.5821 2.1502 3.9112 4.4109 1.0896 4.0861 3.2945 4.4389 2.4615 3.0682 4.6928 4.4488 5.0204 4.0240 5.2239 1.7655 1.7738 3.7009 4.0240 5.1621
H19 3.4191 4.0587 2.1582 4.5248 5.2740 1.0915 4.9420 3.5499 4.5945 2.4669 2.4856 5.4262 4.6527 5.9680 5.1621 5.9215 1.7622 1.7738 4.3972 5.2239 5.9215
H20 2.7743 4.1879 2.8883 2.1751 4.9298 3.8840 1.0898 4.8142 4.5364 2.1295 3.6258 3.0559 2.5466 4.7549 5.0204 5.9680 4.7549 3.7009 4.3972 1.7655 1.7622
H21 2.7314 3.9112 3.5821 2.1502 4.0861 4.4109 1.0896 4.6928 4.4488 3.2945 4.4390 2.4615 3.0682 3.7009 4.0240 5.1621 5.0204 4.0240 5.2239 1.7655 1.7738
H22 3.4191 4.5248 4.0587 2.1582 4.9420 5.2740 1.0915 5.4262 4.6527 3.5499 4.5945 2.4669 2.4856 4.3972 5.2239 5.9215 5.9680 5.1621 5.9215 1.7622 1.7738
Maximum atom distance is 5.9680Å 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 112.504 N1 C3 C6 112.504
N1 C4 C7 112.504 C2 N1 C3 110.634
C2 N1 C4 110.634 C3 N1 C4 110.634
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.074 N1 C2 H9 110.580
N1 C3 H10 108.074 N1 C3 H11 110.580
N1 C4 H12 108.074 N1 C4 H13 110.580
C2 C5 H14 111.792 C2 C5 H15 109.814
C2 C5 H16 110.334 C3 C6 H17 111.792
C3 C6 H18 109.814 C3 C6 H19 110.334
C4 C7 H20 111.792 C4 C7 H21 109.814
C4 C7 H22 110.334 C5 C2 H8 108.375
C5 C2 H9 110.401 C6 C3 H10 108.375
C6 C3 H11 110.401 C7 C4 H12 108.375
C7 C4 H13 110.401 H8 C2 H9 106.683
H10 C3 H11 106.683 H12 C4 H13 106.683
H14 C5 H15 108.210 H14 C5 H16 107.775
H15 C5 H16 108.833 H17 C6 H18 108.210
H17 C6 H19 107.775 H18 C6 H19 108.833
H20 C7 H21 108.210 H20 C7 H22 107.775
H21 C7 H22 108.833

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