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Geometry for C9H20 (Nonane) 1A1 C2V

1910171554
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 INChIKey=BKIMMITUMNQMOS-UHFFFAOYSA-N

SVWN/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3502   0.3502 0.0000 0.0000
C2 0.0000 1.2659 -0.4763   -0.4763 0.0000 1.2659
C3 0.0000 -1.2659 -0.4763   -0.4763 0.0000 -1.2659
C4 0.0000 2.5309 0.3515   0.3515 0.0000 2.5309
C5 0.0000 -2.5309 0.3515   0.3515 0.0000 -2.5309
C6 0.0000 3.7988 -0.4733   -0.4733 0.0000 3.7988
C7 0.0000 -3.7988 -0.4733   -0.4733 0.0000 -3.7988
C8 0.0000 5.0520 0.3726   0.3726 0.0000 5.0520
C9 0.0000 -5.0520 0.3726   0.3726 0.0000 -5.0520
H10 0.8839 0.0000 1.0216   1.0216 0.8839 0.0000
H11 -0.8839 0.0000 1.0216   1.0216 -0.8839 0.0000
H12 0.8840 1.2662 -1.1474   -1.1474 0.8840 1.2662
H13 -0.8840 1.2662 -1.1474   -1.1474 -0.8840 1.2662
H14 -0.8840 -1.2662 -1.1474   -1.1474 -0.8840 -1.2662
H15 0.8840 -1.2662 -1.1474   -1.1474 0.8840 -1.2662
H16 0.8838 2.5311 1.0230   1.0230 0.8838 2.5311
H17 -0.8838 2.5311 1.0230   1.0230 -0.8838 2.5311
H18 -0.8838 -2.5311 1.0230   1.0230 -0.8838 -2.5311
H19 0.8838 -2.5311 1.0230   1.0230 0.8838 -2.5311
H20 -0.8831 3.7941 -1.1429   -1.1429 -0.8831 3.7941
H21 0.8831 3.7941 -1.1429   -1.1429 0.8831 3.7941
H22 0.8831 -3.7941 -1.1429   -1.1429 0.8831 -3.7941
H23 -0.8831 -3.7941 -1.1429   -1.1429 -0.8831 -3.7941
H24 0.0000 5.9691 -0.2400   -0.2400 0.0000 5.9691
H25 -0.8892 5.0875 1.0276   1.0276 -0.8892 5.0875
H26 0.8892 5.0875 1.0276   1.0276 0.8892 5.0875
H27 0.0000 -5.9691 -0.2400   -0.2400 0.0000 -5.9691
H28 0.8892 -5.0875 1.0276   1.0276 0.8892 -5.0875
H29 -0.8892 -5.0875 1.0276   1.0276 -0.8892 -5.0875
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 C8 C9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24 H25 H26 H27 H28 H29
C1 1.5118 1.5118 2.5309 2.5309 3.8871 3.8871 5.0521 5.0521 1.1099 1.1099 2.1512 2.1512 2.1512 2.1512 2.7641 2.7641 2.7641 2.7641 4.1718 4.1718 4.1718 4.1718 5.9982 5.2088 5.2088 5.9982 5.2088 5.2088
C2 1.5118 2.5318 1.5118 3.8860 2.5329 5.0647 3.8801 6.3747 2.1511 2.1511 1.1099 1.1099 2.7647 2.7647 2.1517 2.1517 4.1769 4.1769 2.7597 2.7597 5.1795 5.1795 4.7091 4.2020 4.2020 7.2388 6.5892 6.5892
C3 1.5118 2.5318 3.8860 1.5118 5.0647 2.5329 6.3747 3.8801 2.1511 2.1511 2.7647 2.7647 1.1099 1.1099 4.1769 4.1769 2.1517 2.1517 5.1795 5.1795 2.7597 2.7597 7.2388 6.5892 6.5892 4.7091 4.2020 4.2020
C4 2.5309 1.5118 3.8860 5.0619 1.5126 6.3833 2.5212 7.5830 2.7633 2.7633 2.1512 2.1512 4.1769 4.1769 1.1100 1.1100 5.1823 5.1823 2.1467 2.1467 6.5588 6.5588 3.4886 2.7899 2.7899 8.5206 7.6999 7.6999
C5 2.5309 3.8860 1.5118 5.0619 6.3833 1.5126 7.5830 2.5212 2.7633 2.7633 4.1769 4.1769 2.1512 2.1512 5.1823 5.1823 1.1100 1.1100 6.5588 6.5588 2.1467 2.1467 8.5206 7.6999 7.6999 3.4886 2.7899 2.7899
C6 3.8871 2.5329 5.0647 1.5126 6.3833 7.5977 1.5120 8.8912 4.1770 4.1770 2.7659 2.7659 5.1856 5.1856 2.1511 2.1511 6.5642 6.5642 1.1082 1.1082 7.6733 7.6733 2.1828 2.1688 2.1688 9.7707 9.0559 9.0559
C7 3.8871 5.0647 2.5329 6.3833 1.5126 7.5977 8.8912 1.5120 4.1770 4.1770 5.1856 5.1856 2.7659 2.7659 6.5642 6.5642 2.1511 2.1511 7.6733 7.6733 1.1082 1.1082 9.7707 9.0559 9.0559 2.1828 2.1688 2.1688
C8 5.0521 3.8801 6.3747 2.5212 7.5830 1.5120 8.8912 10.1040 5.1696 5.1696 4.1742 4.1742 6.5583 6.5583 2.7494 2.7494 7.6621 7.6621 2.1585 2.1585 9.0183 9.0183 1.1029 1.1049 1.1049 11.0381 10.1995 10.1995
C9 5.0521 6.3747 3.8801 7.5830 2.5212 8.8912 1.5120 10.1040 5.1696 5.1696 6.5583 6.5583 4.1742 4.1742 7.6621 7.6621 2.7494 2.7494 9.0183 9.0183 2.1585 2.1585 11.0381 10.1995 10.1995 1.1029 1.1049 1.1049
H10 1.1099 2.1511 2.1511 2.7633 2.7633 4.1770 4.1770 5.1696 5.1696 1.7677 2.5115 3.0713 3.0713 2.5115 2.5311 3.0873 3.0873 2.5311 4.7119 4.3680 4.3680 4.7119 6.1646 5.3876 5.0875 6.1646 5.0875 5.3876
H11 1.1099 2.1511 2.1511 2.7633 2.7633 4.1770 4.1770 5.1696 5.1696 1.7677 3.0713 2.5115 2.5115 3.0713 3.0873 2.5311 2.5311 3.0873 4.3680 4.7119 4.7119 4.3680 6.1646 5.0875 5.3876 6.1646 5.3876 5.0875
H12 2.1512 1.1099 2.7647 2.1512 4.1769 2.7659 5.1856 4.1742 6.5583 2.5115 3.0713 1.7680 3.0885 2.5324 2.5121 3.0718 4.7176 4.3738 3.0843 2.5279 5.0603 5.3599 4.8705 4.7409 4.3969 7.3454 6.7156 6.9458
H13 2.1512 1.1099 2.7647 2.1512 4.1769 2.7659 5.1856 4.1742 6.5583 3.0713 2.5115 1.7680 2.5324 3.0885 3.0718 2.5121 4.3738 4.7176 2.5279 3.0843 5.3599 5.0603 4.8705 4.3969 4.7409 7.3454 6.9458 6.7156
H14 2.1512 2.7647 1.1099 4.1769 2.1512 5.1856 2.7659 6.5583 4.1742 3.0713 2.5115 3.0885 2.5324 1.7680 4.7176 4.3738 2.5121 3.0718 5.0603 5.3599 3.0843 2.5279 7.3454 6.7156 6.9458 4.8705 4.7409 4.3969
H15 2.1512 2.7647 1.1099 4.1769 2.1512 5.1856 2.7659 6.5583 4.1742 2.5115 3.0713 2.5324 3.0885 1.7680 4.3738 4.7176 3.0718 2.5121 5.3599 5.0603 2.5279 3.0843 7.3454 6.9458 6.7156 4.8705 4.3969 4.7409
H16 2.7641 2.1517 4.1769 1.1100 5.1823 2.1511 6.5642 2.7494 7.6621 2.5311 3.0873 2.5121 3.0718 4.7176 4.3738 1.7677 5.3620 5.0622 3.0673 2.5072 6.6857 6.9153 3.7678 3.1110 2.5564 8.6389 7.6186 7.8222
H17 2.7641 2.1517 4.1769 1.1100 5.1823 2.1511 6.5642 2.7494 7.6621 3.0873 2.5311 3.0718 2.5121 4.3738 4.7176 1.7677 5.0622 5.3620 2.5072 3.0673 6.9153 6.6857 3.7678 2.5564 3.1110 8.6389 7.8222 7.6186
H18 2.7641 4.1769 2.1517 5.1823 1.1100 6.5642 2.1511 7.6621 2.7494 3.0873 2.5311 4.7176 4.3738 2.5121 3.0718 5.3620 5.0622 1.7677 6.6857 6.9153 3.0673 2.5072 8.6389 7.6186 7.8222 3.7678 3.1110 2.5564
H19 2.7641 4.1769 2.1517 5.1823 1.1100 6.5642 2.1511 7.6621 2.7494 2.5311 3.0873 4.3738 4.7176 3.0718 2.5121 5.0622 5.3620 1.7677 6.9153 6.6857 2.5072 3.0673 8.6389 7.8222 7.6186 3.7678 2.5564 3.1110
H20 4.1718 2.7597 5.1795 2.1467 6.5588 1.1082 7.6733 2.1585 9.0183 4.7119 4.3680 3.0843 2.5279 5.0603 5.3599 3.0673 2.5072 6.6857 6.9153 1.7662 7.7909 7.5881 2.5151 2.5266 3.0862 9.8445 9.3131 9.1429
H21 4.1718 2.7597 5.1795 2.1467 6.5588 1.1082 7.6733 2.1585 9.0183 4.3680 4.7119 2.5279 3.0843 5.3599 5.0603 2.5072 3.0673 6.9153 6.6857 1.7662 7.5881 7.7909 2.5151 3.0862 2.5266 9.8445 9.1429 9.3131
H22 4.1718 5.1795 2.7597 6.5588 2.1467 7.6733 1.1082 9.0183 2.1585 4.3680 4.7119 5.0603 5.3599 3.0843 2.5279 6.6857 6.9153 3.0673 2.5072 7.7909 7.5881 1.7662 9.8445 9.3131 9.1429 2.5151 2.5266 3.0862
H23 4.1718 5.1795 2.7597 6.5588 2.1467 7.6733 1.1082 9.0183 2.1585 4.7119 4.3680 5.3599 5.0603 2.5279 3.0843 6.9153 6.6857 2.5072 3.0673 7.5881 7.7909 1.7662 9.8445 9.1429 9.3131 2.5151 3.0862 2.5266
H24 5.9982 4.7091 7.2388 3.4886 8.5206 2.1828 9.7707 1.1029 11.0381 6.1646 6.1646 4.8705 4.8705 7.3454 7.3454 3.7678 3.7678 8.6389 8.6389 2.5151 2.5151 9.8445 9.8445 1.7817 1.7817 11.9382 11.1644 11.1644
H25 5.2088 4.2020 6.5892 2.7899 7.6999 2.1688 9.0559 1.1049 10.1995 5.3876 5.0875 4.7409 4.3969 6.7156 6.9458 3.1110 2.5564 7.6186 7.8222 2.5266 3.0862 9.3131 9.1429 1.7817 1.7783 11.1644 10.3292 10.1749
H26 5.2088 4.2020 6.5892 2.7899 7.6999 2.1688 9.0559 1.1049 10.1995 5.0875 5.3876 4.3969 4.7409 6.9458 6.7156 2.5564 3.1110 7.8222 7.6186 3.0862 2.5266 9.1429 9.3131 1.7817 1.7783 11.1644 10.1749 10.3292
H27 5.9982 7.2388 4.7091 8.5206 3.4886 9.7707 2.1828 11.0381 1.1029 6.1646 6.1646 7.3454 7.3454 4.8705 4.8705 8.6389 8.6389 3.7678 3.7678 9.8445 9.8445 2.5151 2.5151 11.9382 11.1644 11.1644 1.7817 1.7817
H28 5.2088 6.5892 4.2020 7.6999 2.7899 9.0559 2.1688 10.1995 1.1049 5.0875 5.3876 6.7156 6.9458 4.7409 4.3969 7.6186 7.8222 3.1110 2.5564 9.3131 9.1429 2.5266 3.0862 11.1644 10.3292 10.1749 1.7817 1.7783
H29 5.2088 6.5892 4.2020 7.6999 2.7899 9.0559 2.1688 10.1995 1.1049 5.3876 5.0875 6.9458 6.7156 4.3969 4.7409 7.8222 7.6186 2.5564 3.1110 9.1429 9.3131 3.0862 2.5266 11.1644 10.1749 10.3292 1.7817 1.7783
Maximum atom distance is 11.9382Å between atoms H24 and H27.
picture of Nonane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 113.663 C1 C3 C5 113.663
C2 C1 C3 113.719 C2 C4 C6 113.759
C3 C5 C7 113.759 C4 C6 C8 112.934
C5 C7 C9 112.934
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H12 109.317 C1 C2 H13 109.317
C1 C3 H14 109.317 C1 C3 H15 109.317
C2 C1 H10 109.310 C2 C1 H11 109.310
C2 C4 H16 109.352 C2 C4 H17 109.352
C3 C1 H10 109.310 C3 C1 H11 109.310
C3 C5 H18 109.352 C3 C5 H19 109.352
C4 C2 H12 109.319 C4 C2 H13 109.319
C4 C6 H20 109.016 C4 C6 H21 109.016
C5 C3 H14 109.319 C5 C3 H15 109.319
C5 C7 H22 109.016 C5 C7 H23 109.016
C6 C4 H16 109.255 C6 C4 H17 109.255
C6 C8 H24 112.235 C6 C8 H25 110.992
C6 C8 H26 110.992 C7 C5 H14 96.482
C7 C5 H15 96.482 C7 C9 H27 112.235
C7 C9 H28 110.992 C7 C9 H29 110.992
C8 C6 H20 109.975 C8 C6 H21 109.975
C9 C7 H22 109.975 C9 C7 H23 109.975
H10 C1 H11 105.563 H12 C2 H13 105.590
H14 C3 H15 105.590 H16 C4 H17 105.542
H18 C5 H19 105.542 H20 C6 H21 105.660
H22 C7 H23 105.660 H24 C8 H25 107.613
H24 C8 H26 107.613 H25 C8 H26 107.171
H27 C9 H28 107.613 H27 C9 H29 107.613
H28 C9 H29 107.171

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