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Geometry for NH(C2H5)2 (diethylamine) 1A' CS

1910171554
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 INChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0170 -0.2690 0.0000   0.0136 -0.2686 0.0170
C2 0.0170 0.5183 1.2179   1.1901 0.5792 0.0170
C3 0.0170 0.5183 -1.2179   -1.2425 0.4561 0.0170
C4 0.0170 -0.3762 2.4492   2.4651 -0.2519 0.0170
C5 0.0170 -0.3762 -2.4492   -2.4270 -0.4996 0.0170
H6 -0.7750 -0.8813 0.0000   0.0446 -0.8802 -0.7750
H7 -0.8332 1.2071 1.2653   1.2026 1.2695 -0.8332
H8 0.9132 1.1332 1.2194   1.1605 1.1934 0.9132
H9 -0.8332 1.2071 -1.2653   -1.3247 1.1416 -0.8332
H10 0.9132 1.1332 -1.2194   -1.2751 1.0702 0.9132
H11 0.0516 0.2174 3.3580   3.3427 0.3869 0.0516
H12 -0.8818 -0.9877 2.4878   2.5346 -0.8607 -0.8818
H13 0.8746 -1.0403 2.4348   2.4843 -0.9159 0.8746
H14 0.0516 0.2174 -3.3580   -3.3647 0.0474 0.0516
H15 -0.8818 -0.9877 -2.4878   -2.4347 -1.1122 -0.8818
H16 0.8746 -1.0403 -2.4348   -2.3791 -1.1621 0.8746
Atom - Atom Distances (Å)
  N1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
N1 1.4502 1.4502 2.4515 2.4515 1.0011 2.1219 2.0631 2.1219 2.0631 3.3932 2.7411 2.6943 3.3932 2.7411 2.6943
C2 1.4502 2.4357 1.5219 3.7746 2.0173 1.0953 1.0869 2.7135 2.6686 2.1614 2.1653 2.1554 4.5859 4.0998 4.0629
C3 1.4502 2.4357 3.7746 1.5219 2.0173 2.7135 2.6686 1.0953 1.0869 4.5859 4.0998 4.0629 2.1614 2.1653 2.1554
C4 2.4515 1.5219 3.7746 4.8983 2.6231 2.1521 2.1434 4.1264 4.0670 1.0861 1.0877 1.0848 5.8375 5.0552 5.0030
C5 2.4515 3.7746 1.5219 4.8983 2.6231 4.1264 4.0670 2.1521 2.1434 5.8375 5.0552 5.0030 1.0861 1.0877 1.0848
H6 1.0011 2.0173 2.0173 2.6231 2.6231 2.4425 2.8975 2.4425 2.8975 3.6285 2.4924 2.9453 3.6285 2.4924 2.9453
H7 2.1219 1.0953 2.7135 2.1521 4.1264 2.4425 1.7486 2.5305 3.0379 2.4783 2.5128 3.0555 4.8101 4.3480 4.6539
H8 2.0631 1.0869 2.6686 2.1434 4.0670 2.8975 1.7486 3.0379 2.4388 2.4809 3.0544 2.4906 4.7469 4.6329 4.2520
H9 2.1219 2.7135 1.0953 4.1264 2.1521 2.4425 2.5305 3.0379 1.7486 4.8101 4.3480 4.6539 2.4783 2.5128 3.0555
H10 2.0631 2.6686 1.0869 4.0670 2.1434 2.8975 3.0379 2.4388 1.7486 4.7469 4.6329 4.2520 2.4809 3.0544 2.4906
H11 3.3932 2.1614 4.5859 1.0861 5.8375 3.6285 2.4783 2.4809 4.8101 4.7469 1.7552 1.7639 6.7160 6.0413 5.9847
H12 2.7411 2.1653 4.0998 1.0877 5.0552 2.4924 2.5128 3.0544 4.3480 4.6329 1.7552 1.7580 6.0413 4.9756 5.2269
H13 2.6943 2.1554 4.0629 1.0848 5.0030 2.9453 3.0555 2.4906 4.6539 4.2520 1.7639 1.7580 5.9847 5.2269 4.8697
H14 3.3932 4.5859 2.1614 5.8375 1.0861 3.6285 4.8101 4.7469 2.4783 2.4809 6.7160 6.0413 5.9847 1.7552 1.7639
H15 2.7411 4.0998 2.1653 5.0552 1.0877 2.4924 4.3480 4.6329 2.5128 3.0544 6.0413 4.9756 5.2269 1.7552 1.7580
H16 2.6943 4.0629 2.1554 5.0030 1.0848 2.9453 4.6539 4.2520 3.0555 2.4906 5.9847 5.2269 4.8697 1.7639 1.7580
Maximum atom distance is 6.7160Å between atoms H11 and H14.
picture of diethylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C4 111.122 N1 C3 C5 111.122
C2 N1 C3 114.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 112.196 N1 C2 H8 107.959
N1 C3 H9 112.196 N1 C3 H10 107.959
C2 N1 H6 109.395 C2 C4 H11 110.837
C2 C4 H12 111.049 C2 C4 H13 110.435
C3 N1 H6 109.395 C3 C5 H14 110.837
C3 C5 H15 111.049 C3 C5 H16 110.435
C4 C2 H7 109.550 C4 C2 H8 109.354
C5 C3 H8 150.966 C5 C3 H10 109.354
H7 C2 H8 106.510 H9 C3 H10 106.510
H11 C4 H12 107.690 H11 C4 H13 108.693
H12 C4 H13 108.032 H14 C5 H15 107.690
H14 C5 H16 108.693 H15 C5 H16 108.032

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