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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

HF/CEP-31G


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.1029   0.0000 0.0000 0.1029
C2 -0.3285 1.3913 0.4791   -1.3775 -0.3822 0.4791
C3 -1.0406 -0.9802 0.4791   1.0198 -1.0019 0.4791
C4 1.3692 -0.4111 0.4791   0.3577 1.3841 0.4791
C5 0.2856 2.4277 -0.4840   -2.4369 0.1913 -0.4840
C6 -2.2452 -0.9665 -0.4840   1.0528 -2.2061 -0.4840
C7 1.9596 -1.4612 -0.4840   1.3841 2.0148 -0.4840
H8 -1.4093 1.5046 0.4603   -1.4488 -1.4666 0.4603
H9 -0.0111 1.6043 1.5096   -1.6027 -0.0733 1.5096
H10 -0.5983 -1.9728 0.4603   1.9945 -0.5214 0.4603
H11 -1.3839 -0.8118 1.5096   0.8648 -1.3513 1.5096
H12 2.0077 0.4682 0.4603   -0.5457 1.9880 0.4603
H13 1.3950 -0.7926 1.5096   0.7379 1.4246 1.5096
H14 1.3744 2.3800 -0.4949   -2.4315 1.2811 -0.4949
H15 -0.0691 2.2465 -1.4980   -2.2421 -0.1561 -1.4980
H16 0.0000 3.4396 -0.1876   -3.4370 -0.1334 -0.1876
H17 -2.7483 0.0003 -0.4949   0.1063 -2.7463 -0.4949
H18 -1.9109 -1.1831 -1.4980   1.2563 -1.8636 -1.4980
H19 -2.9788 -1.7198 -0.1876   1.8340 -2.9099 -0.1876
H20 1.3739 -2.3803 -0.4949   2.3252 1.4652 -0.4949
H21 1.9800 -1.0634 -1.4980   0.9858 2.0198 -1.4980
H22 2.9788 -1.7198 -0.1876   1.6030 3.0433 -0.1876
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 1.4782 1.4782 1.4782 2.5139 2.5139 2.5139 2.0923 2.1337 2.0923 2.1337 2.0923 2.1337 2.8126 2.7594 3.4519 2.8126 2.7594 3.4519 2.8126 2.7594 3.4519
C2 1.4782 2.4761 2.4761 1.5423 3.1876 3.7815 1.0869 1.0991 3.3750 2.6513 2.5120 2.9668 2.1969 2.1697 2.1790 2.9562 3.6111 4.1410 4.2511 3.9069 4.5894
C3 1.4782 2.4761 2.4761 3.7815 1.5423 3.1876 2.5120 2.9668 1.0869 1.0991 3.3750 2.6513 4.2511 3.9069 4.5894 2.1969 2.1697 2.1790 2.9562 3.6111 4.1410
C4 1.4782 2.4761 2.4761 3.1876 3.7815 1.5423 3.3750 2.6513 2.5120 2.9668 1.0869 1.0991 2.9562 3.6111 4.1410 4.2511 3.9069 4.5894 2.1969 2.1697 2.1790
C5 2.5139 1.5423 3.7815 3.1876 4.2339 4.2339 2.1487 2.1772 4.5867 4.1540 2.7743 3.9465 1.0899 1.0894 1.0925 3.8855 4.3463 5.2864 4.9296 4.0108 4.9541
C6 2.5139 3.1876 1.5423 3.7815 4.2339 4.2339 2.7743 3.9465 2.1487 2.1772 4.5867 4.1540 4.9296 4.0108 4.9541 1.0899 1.0894 1.0925 3.8855 4.3463 5.2864
C7 2.5139 3.7815 3.1876 1.5423 4.2339 4.2339 4.5867 4.1540 2.7743 3.9465 2.1487 2.1772 3.8855 4.3463 5.2864 4.9296 4.0108 4.9541 1.0899 1.0894 1.0925
H8 2.0923 1.0869 2.5120 3.3750 2.1487 2.7743 4.5867 1.7510 3.5707 2.5431 3.5707 3.7739 3.0705 2.4863 2.4800 2.2290 3.3630 3.6441 4.8735 4.6816 5.4838
H9 2.1337 1.0991 2.9668 2.6513 2.1772 3.9465 4.1540 1.7510 3.7739 2.7789 2.5431 2.7789 2.5572 3.0759 2.4998 3.7528 4.5193 4.7684 4.6705 4.4863 4.7823
H10 2.0923 3.3750 1.0869 2.5120 4.5867 2.1487 2.7743 3.5707 3.7739 1.7510 3.5707 2.5431 4.8735 4.6816 5.4838 3.0705 2.4863 2.4800 2.2290 3.3630 3.6441
H11 2.1337 2.6513 1.0991 2.9668 4.1540 2.1772 3.9465 2.5431 2.7789 1.7510 3.7739 2.7789 4.6705 4.4863 4.7823 2.5572 3.0759 2.4998 3.7528 4.5193 4.7684
H12 2.0923 2.5120 3.3750 1.0869 2.7743 4.5867 2.1487 3.5707 2.5431 3.5707 3.7739 1.7510 2.2290 3.3630 3.6441 4.8735 4.6816 5.4838 3.0705 2.4863 2.4800
H13 2.1337 2.9668 2.6513 1.0991 3.9465 4.1540 2.1772 3.7739 2.7789 2.5431 2.7789 1.7510 3.7528 4.5193 4.7684 4.6705 4.4863 4.7823 2.5572 3.0759 2.4998
H14 2.8126 2.1969 4.2511 2.9562 1.0899 4.9296 3.8855 3.0705 2.5572 4.8735 4.6705 2.2290 3.7528 1.7628 1.7625 4.7603 4.9492 5.9878 4.7603 3.6373 4.4133
H15 2.7594 2.1697 3.9069 3.6111 1.0894 4.0108 4.3463 2.4863 3.0759 4.6816 4.4863 3.3630 4.5193 1.7628 1.7735 3.6373 3.8928 5.0907 4.9492 3.8928 5.1709
H16 3.4519 2.1790 4.5894 4.1410 1.0925 4.9541 5.2864 2.4800 2.4998 5.4838 4.7823 3.6441 4.7684 1.7625 1.7735 4.4133 5.1709 5.9576 5.9878 5.0907 5.9576
H17 2.8126 2.9562 2.1969 4.2511 3.8855 1.0899 4.9296 2.2290 3.7528 3.0705 2.5572 4.8735 4.6705 4.7603 3.6373 4.4133 1.7628 1.7625 4.7603 4.9492 5.9878
H18 2.7594 3.6111 2.1697 3.9069 4.3463 1.0894 4.0108 3.3630 4.5193 2.4863 3.0759 4.6816 4.4863 4.9492 3.8928 5.1709 1.7628 1.7735 3.6373 3.8928 5.0907
H19 3.4519 4.1410 2.1790 4.5894 5.2864 1.0925 4.9541 3.6441 4.7684 2.4800 2.4998 5.4838 4.7823 5.9878 5.0907 5.9576 1.7625 1.7735 4.4133 5.1709 5.9576
H20 2.8126 4.2511 2.9562 2.1969 4.9296 3.8855 1.0899 4.8735 4.6705 2.2290 3.7528 3.0705 2.5572 4.7603 4.9492 5.9878 4.7603 3.6373 4.4133 1.7628 1.7625
H21 2.7594 3.9069 3.6111 2.1697 4.0108 4.3463 1.0894 4.6816 4.4863 3.3630 4.5193 2.4863 3.0759 3.6373 3.8928 5.0907 4.9492 3.8928 5.1709 1.7628 1.7735
H22 3.4519 4.5894 4.1410 2.1790 4.9541 5.2864 1.0925 5.4838 4.7823 3.6441 4.7684 2.4800 2.4998 4.4133 5.1709 5.9576 5.9878 5.0907 5.9576 1.7625 1.7735
Maximum atom distance is 5.9878Å between atoms H17 and H22.
picture of triethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C5 112.647 N1 C3 C6 112.647
N1 C4 C7 112.647 C2 N1 C3 113.758
C2 N1 C4 113.758 C3 N1 C4 113.759
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 108.342 N1 C2 H9 110.904
N1 C3 H10 108.342 N1 C3 H11 110.904
N1 C4 H12 108.342 N1 C4 H13 110.904
C2 C5 H14 112.003 C2 C5 H15 109.863
C2 C5 H16 110.421 C3 C6 H17 112.003
C3 C6 H18 109.863 C3 C6 H19 110.421
C4 C7 H20 112.003 C4 C7 H21 109.863
C4 C7 H22 110.421 C5 C2 H8 108.370
C5 C2 H9 109.890 C6 C3 H10 108.370
C6 C3 H11 109.890 C7 C4 H12 108.370
C7 C4 H13 109.890 H8 C2 H9 106.452
H10 C3 H11 106.452 H12 C4 H13 106.452
H14 C5 H15 107.979 H14 C5 H16 107.724
H15 C5 H16 108.753 H17 C6 H18 107.979
H17 C6 H19 107.724 H18 C6 H19 108.753
H20 C7 H21 107.979 H20 C7 H22 107.724
H21 C7 H22 108.753

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