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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

BLYP/3-21G


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0160   -0.0000 -0.0000 0.0160
C2 0.3562 1.3919 -0.4368   -1.3978 0.3320 -0.4368
C3 1.0273 -1.0044 -0.4368   0.9865 1.0445 -0.4368
C4 -1.3835 -0.3875 -0.4368   0.4114 -1.3766 -0.4368
C5 -0.3549 2.4746 0.4188   -2.4681 -0.3977 0.4188
C6 2.3205 -0.9299 0.4188   0.8897 2.3363 0.4188
C7 -1.9656 -1.5447 0.4188   1.5784 -1.9386 0.4188
H8 1.4432 1.5068 -0.3060   -1.5315 1.4169 -0.3060
H9 0.1352 1.5472 -1.5185   -1.5493 0.1084 -1.5185
H10 0.5833 -2.0032 -0.3060   1.9928 0.6179 -0.3060
H11 1.2723 -0.8906 -1.5185   0.8685 1.2875 -1.5185
H12 -2.0265 0.4965 -0.3060   -0.4613 -2.0348 -0.3060
H13 -1.4075 -0.6565 -1.5185   0.6808 -1.3959 -1.5185
H14 -1.4479 2.4470 0.2809   -2.4216 -1.4900 0.2809
H15 -0.1325 2.2980 1.4823   -2.2954 -0.1722 1.4823
H16 0.0000 3.4791 0.1322   -3.4786 -0.0602 0.1322
H17 2.8431 0.0304 0.2809   -0.0796 2.8422 0.2809
H18 2.0564 -1.0343 1.4823   0.9986 2.0739 1.4823
H19 3.0130 -1.7395 0.1322   1.6872 3.0426 0.1322
H20 -1.3952 -2.4775 0.2809   2.5012 -1.3522 0.2809
H21 -1.9239 -1.2637 1.4823   1.2968 -1.9017 1.4823
H22 -3.0130 -1.7395 0.1322   1.7914 -2.9825 0.1322
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 1.5064 1.5064 1.5064 2.5322 2.5322 2.5322 2.1111 2.1832 2.1111 2.1832 2.1111 2.1832 2.8556 2.7292 3.4810 2.8556 2.7292 3.4810 2.8556 2.7292 3.4810
C2 1.5064 2.4885 2.4885 1.5524 3.1594 3.8401 1.1009 1.1149 3.4052 2.6869 2.5487 2.9114 2.2098 2.1778 2.1925 2.9247 3.5299 4.1459 4.3075 3.9917 4.6347
C3 1.5064 2.4885 2.4885 3.8401 1.5524 3.1594 2.5487 2.9114 1.1009 1.1149 3.4052 2.6869 4.3075 3.9917 4.6347 2.2098 2.1778 2.1925 2.9247 3.5299 4.1459
C4 1.5064 2.4885 2.4885 3.1594 3.8401 1.5524 3.4052 2.6869 2.5487 2.9114 1.1009 1.1149 2.9247 3.5299 4.1459 4.3075 3.9917 4.6347 2.2098 2.1778 2.1925
C5 2.5322 1.5524 3.8401 3.1594 4.3300 4.3300 2.1669 2.2030 4.6321 4.2102 2.6893 3.8295 1.1020 1.1008 1.1032 4.0275 4.3884 5.4022 5.0620 4.1914 4.9907
C6 2.5322 3.1594 1.5524 3.8401 4.3300 4.3300 2.6893 3.8295 2.1669 2.2030 4.6321 4.2102 5.0620 4.1914 4.9907 1.1020 1.1008 1.1032 4.0275 4.3884 5.4022
C7 2.5322 3.8401 3.1594 1.5524 4.3300 4.3300 4.6321 4.2102 2.6893 3.8295 2.1669 2.2030 4.0275 4.3884 5.4022 5.0620 4.1914 4.9907 1.1020 1.1008 1.1032
H8 2.1111 1.1009 2.5487 3.4052 2.1669 2.6893 4.6321 1.7840 3.6138 2.6920 3.6138 3.7784 3.0963 2.5113 2.4829 2.1175 3.1672 3.6325 4.9270 4.7128 5.5307
H9 2.1832 1.1149 2.9114 2.6869 2.2030 3.8295 4.2102 1.7840 3.7784 2.6900 2.6920 2.6900 2.5600 3.1048 2.5446 3.5877 4.3999 4.6700 4.6666 4.5984 4.8413
H10 2.1111 3.4052 1.1009 2.5487 4.6321 2.1669 2.6893 3.6138 3.7784 1.7840 3.6138 2.6920 4.9270 4.7128 5.5307 3.0963 2.5113 2.4829 2.1175 3.1672 3.6325
H11 2.1832 2.6869 1.1149 2.9114 4.2102 2.2030 3.8295 2.6920 2.6900 1.7840 3.7784 2.6900 4.6666 4.5984 4.8413 2.5600 3.1048 2.5446 3.5877 4.3999 4.6700
H12 2.1111 2.5487 3.4052 1.1009 2.6893 4.6321 2.1669 3.6138 2.6920 3.6138 3.7784 1.7840 2.1175 3.1672 3.6325 4.9270 4.7128 5.5307 3.0963 2.5113 2.4829
H13 2.1832 2.9114 2.6869 1.1149 3.8295 4.2102 2.2030 3.7784 2.6900 2.6920 2.6900 1.7840 3.5877 4.3999 4.6700 4.6666 4.5984 4.8413 2.5600 3.1048 2.5446
H14 2.8556 2.2098 4.3075 2.9247 1.1020 5.0620 4.0275 3.0963 2.5600 4.9270 4.6666 2.1175 3.5877 1.7877 1.7843 4.9248 5.0836 6.1196 4.9248 3.9293 4.4720
H15 2.7292 2.1778 3.9917 3.5299 1.1008 4.1914 4.3884 2.5113 3.1048 4.7128 4.5984 3.1672 4.3999 1.7877 1.7987 3.9293 3.9869 5.2933 5.0836 3.9869 5.1402
H16 3.4810 2.1925 4.6347 4.1459 1.1032 4.9907 5.4022 2.4829 2.5446 5.5307 4.8413 3.6325 4.6700 1.7843 1.7987 4.4720 5.1402 6.0260 6.1196 5.2933 6.0260
H17 2.8556 2.9247 2.2098 4.3075 4.0275 1.1020 5.0620 2.1175 3.5877 3.0963 2.5600 4.9270 4.6666 4.9248 3.9293 4.4720 1.7877 1.7843 4.9248 5.0836 6.1196
H18 2.7292 3.5299 2.1778 3.9917 4.3884 1.1008 4.1914 3.1672 4.3999 2.5113 3.1048 4.7128 4.5984 5.0836 3.9869 5.1402 1.7877 1.7987 3.9293 3.9869 5.2933
H19 3.4810 4.1459 2.1925 4.6347 5.4022 1.1032 4.9907 3.6325 4.6700 2.4829 2.5446 5.5307 4.8413 6.1196 5.2933 6.0260 1.7843 1.7987 4.4720 5.1402 6.0260
H20 2.8556 4.3075 2.9247 2.2098 5.0620 4.0275 1.1020 4.9270 4.6666 2.1175 3.5877 3.0963 2.5600 4.9248 5.0836 6.1196 4.9248 3.9293 4.4720 1.7877 1.7843
H21 2.7292 3.9917 3.5299 2.1778 4.1914 4.3884 1.1008 4.7128 4.5984 3.1672 4.3999 2.5113 3.1048 3.9293 3.9869 5.2933 5.0836 3.9869 5.1402 1.7877 1.7987
H22 3.4810 4.6347 4.1459 2.1925 4.9907 5.4022 1.1032 5.5307 4.8413 3.6325 4.6700 2.4829 2.5446 4.4720 5.1402 6.0260 6.1196 5.2933 6.0260 1.7843 1.7987
Maximum atom distance is 6.1196Å 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 111.746 N1 C3 C6 111.746
N1 C4 C7 111.746 C2 N1 C3 111.375
C2 N1 C4 111.375 C3 N1 C4 111.375
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H8 107.107 N1 C2 H9 111.929
N1 C3 H10 107.107 N1 C3 H11 111.929
N1 C4 H12 107.107 N1 C4 H13 111.929
C2 C5 H14 111.586 C2 C5 H15 109.148
C2 C5 H16 110.152 C3 C6 H17 111.586
C3 C6 H18 109.148 C3 C6 H19 110.152
C4 C7 H20 111.586 C4 C7 H21 109.148
C4 C7 H22 110.152 C5 C2 H8 108.301
C5 C2 H9 110.290 C6 C3 H10 108.301
C6 C3 H11 110.290 C7 C4 H12 108.301
C7 C4 H13 110.290 H8 C2 H9 107.245
H10 C3 H11 107.245 H12 C4 H13 107.245
H14 C5 H15 108.497 H14 C5 H16 108.022
H15 C5 H16 109.393 H17 C6 H18 108.497
H17 C6 H19 108.022 H18 C6 H19 109.393
H20 C7 H21 108.497 H20 C7 H22 108.022
H21 C7 H22 109.393

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