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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

MP2=FULL/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3584   0.3584 0.0000 0.0000
C2 0.0000 1.2732 -0.4794   -0.4794 0.0000 1.2732
C3 0.0000 -1.2732 -0.4794   -0.4794 0.0000 -1.2732
C4 0.0000 2.5461 0.3585   0.3585 0.0000 2.5461
C5 0.0000 -2.5461 0.3585   0.3585 0.0000 -2.5461
C6 0.0000 3.8202 -0.4775   -0.4775 0.0000 3.8202
C7 0.0000 -3.8202 -0.4775   -0.4775 0.0000 -3.8202
C8 0.0000 5.0847 0.3713   0.3713 0.0000 5.0847
C9 0.0000 -5.0847 0.3713   0.3713 0.0000 -5.0847
H10 0.8751 0.0000 1.0141   1.0141 0.8751 0.0000
H11 -0.8751 0.0000 1.0141   1.0141 -0.8751 0.0000
H12 0.8751 1.2731 -1.1350   -1.1350 0.8751 1.2731
H13 -0.8751 1.2731 -1.1350   -1.1350 -0.8751 1.2731
H14 -0.8751 -1.2731 -1.1350   -1.1350 -0.8751 -1.2731
H15 0.8751 -1.2731 -1.1350   -1.1350 0.8751 -1.2731
H16 0.8749 2.5461 1.0145   1.0145 0.8749 2.5461
H17 -0.8749 2.5461 1.0145   1.0145 -0.8749 2.5461
H18 -0.8749 -2.5461 1.0145   1.0145 -0.8749 -2.5461
H19 0.8749 -2.5461 1.0145   1.0145 0.8749 -2.5461
H20 -0.8741 3.8178 -1.1322   -1.1322 -0.8741 3.8178
H21 0.8741 3.8178 -1.1322   -1.1322 0.8741 3.8178
H22 0.8741 -3.8178 -1.1322   -1.1322 0.8741 -3.8178
H23 -0.8741 -3.8178 -1.1322   -1.1322 -0.8741 -3.8178
H24 0.0000 5.9806 -0.2467   -0.2467 0.0000 5.9806
H25 -0.8796 5.1201 1.0124   1.0124 -0.8796 5.1201
H26 0.8796 5.1201 1.0124   1.0124 0.8796 5.1201
H27 0.0000 -5.9806 -0.2467   -0.2467 0.0000 -5.9806
H28 0.8796 -5.1201 1.0124   1.0124 0.8796 -5.1201
H29 -0.8796 -5.1201 1.0124   1.0124 -0.8796 -5.1201
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 1.5241 1.5241 2.5461 2.5461 3.9106 3.9106 5.0847 5.0847 1.0934 1.0934 2.1487 2.1487 2.1487 2.1487 2.7710 2.7710 2.7710 2.7710 4.1907 4.1907 4.1907 4.1907 6.0111 5.2361 5.2361 6.0111 5.2361 5.2361
C2 1.5241 2.5464 1.5239 3.9102 2.5470 5.0934 3.9052 6.4145 2.1488 2.1488 1.0934 1.0934 2.7712 2.7712 2.1488 2.1488 4.1934 4.1934 2.7686 2.7686 5.2066 5.2066 4.7131 4.2188 4.2188 7.2575 6.6237 6.6237
C3 1.5241 2.5464 3.9102 1.5239 5.0934 2.5470 6.4145 3.9052 2.1488 2.1488 2.7712 2.7712 1.0934 1.0934 4.1934 4.1934 2.1488 2.1488 5.2066 5.2066 2.7686 2.7686 7.2575 6.6237 6.6237 4.7131 4.2188 4.2188
C4 2.5461 1.5239 3.9102 5.0922 1.5238 6.4209 2.5386 7.6308 2.7709 2.7709 2.1487 2.1487 4.1932 4.1932 1.0935 1.0935 5.2083 5.2083 2.1456 2.1456 6.5944 6.5944 3.4874 2.7976 2.7976 8.5482 7.7442 7.7442
C5 2.5461 3.9102 1.5239 5.0922 6.4209 1.5238 7.6308 2.5386 2.7709 2.7709 4.1932 4.1932 2.1487 2.1487 5.2083 5.2083 1.0935 1.0935 6.5944 6.5944 2.1456 2.1456 8.5482 7.7442 7.7442 3.4874 2.7976 2.7976
C6 3.9106 2.5470 5.0934 1.5238 6.4209 7.6404 1.5229 8.9452 4.1933 4.1933 2.7723 2.7723 5.2096 5.2096 2.1481 2.1481 6.5970 6.5970 1.0921 1.0921 7.7157 7.7157 2.1727 2.1641 2.1641 9.8035 9.1062 9.1062
C7 3.9106 5.0934 2.5470 6.4209 1.5238 7.6404 8.9452 1.5229 4.1933 4.1933 5.2096 5.2096 2.7723 2.7723 6.5970 6.5970 2.1481 2.1481 7.7157 7.7157 1.0921 1.0921 9.8035 9.1062 9.1062 2.1727 2.1641 2.1641
C8 5.0847 3.9052 6.4145 2.5386 7.6308 1.5229 8.9452 10.1693 5.1993 5.1993 4.1908 4.1908 6.5921 6.5921 2.7611 2.7611 7.7077 7.7077 2.1516 2.1516 9.0708 9.0708 1.0884 1.0891 1.0891 11.0825 10.2627 10.2627
C9 5.0847 6.4145 3.9052 7.6308 2.5386 8.9452 1.5229 10.1693 5.1993 5.1993 6.5921 6.5921 4.1908 4.1908 7.7077 7.7077 2.7611 2.7611 9.0708 9.0708 2.1516 2.1516 11.0825 10.2627 10.2627 1.0884 1.0891 1.0891
H10 1.0934 2.1488 2.1488 2.7709 2.7709 4.1933 4.1933 5.1993 5.1993 1.7501 2.4979 3.0500 3.0500 2.4979 2.5461 3.0895 3.0895 2.5461 4.7161 4.3798 4.3798 4.7161 6.1744 5.4124 5.1201 6.1744 5.1201 5.4124
H11 1.0934 2.1488 2.1488 2.7709 2.7709 4.1933 4.1933 5.1993 5.1993 1.7501 3.0500 2.4979 2.4979 3.0500 3.0895 2.5461 2.5461 3.0895 4.3798 4.7161 4.7161 4.3798 6.1744 5.1201 5.4124 6.1744 5.4124 5.1201
H12 2.1487 1.0934 2.7712 2.1487 4.1932 2.7723 5.2096 4.1908 6.5921 2.4979 3.0500 1.7502 3.0897 2.5462 2.4981 3.0501 4.7190 4.3825 3.0879 2.5447 5.0909 5.3831 4.8698 4.7423 4.4058 7.3601 6.7443 6.9688
H13 2.1487 1.0934 2.7712 2.1487 4.1932 2.7723 5.2096 4.1908 6.5921 3.0500 2.4979 1.7502 2.5462 3.0897 3.0501 2.4981 4.3825 4.7190 2.5447 3.0879 5.3831 5.0909 4.8698 4.4058 4.7423 7.3601 6.9688 6.7443
H14 2.1487 2.7712 1.0934 4.1932 2.1487 5.2096 2.7723 6.5921 4.1908 3.0500 2.4979 3.0897 2.5462 1.7502 4.7190 4.3825 2.4981 3.0501 5.0909 5.3831 3.0879 2.5447 7.3601 6.7443 6.9688 4.8698 4.7423 4.4058
H15 2.1487 2.7712 1.0934 4.1932 2.1487 5.2096 2.7723 6.5921 4.1908 2.4979 3.0500 2.5462 3.0897 1.7502 4.3825 4.7190 3.0501 2.4981 5.3831 5.0909 2.5447 3.0879 7.3601 6.9688 6.7443 4.8698 4.4058 4.7423
H16 2.7710 2.1488 4.1934 1.0935 5.2083 2.1481 6.5970 2.7611 7.7077 2.5461 3.0895 2.4981 3.0501 4.7190 4.3825 1.7498 5.3845 5.0922 3.0470 2.4951 6.7163 6.9403 3.7619 3.1151 2.5740 8.6638 7.6662 7.8644
H17 2.7710 2.1488 4.1934 1.0935 5.2083 2.1481 6.5970 2.7611 7.7077 3.0895 2.5461 3.0501 2.4981 4.3825 4.7190 1.7498 5.0922 5.3845 2.4951 3.0470 6.9403 6.7163 3.7619 2.5740 3.1151 8.6638 7.8644 7.6662
H18 2.7710 4.1934 2.1488 5.2083 1.0935 6.5970 2.1481 7.7077 2.7611 3.0895 2.5461 4.7190 4.3825 2.4981 3.0501 5.3845 5.0922 1.7498 6.7163 6.9403 3.0470 2.4951 8.6638 7.6662 7.8644 3.7619 3.1151 2.5740
H19 2.7710 4.1934 2.1488 5.2083 1.0935 6.5970 2.1481 7.7077 2.7611 2.5461 3.0895 4.3825 4.7190 3.0501 2.4981 5.0922 5.3845 1.7498 6.9403 6.7163 2.4951 3.0470 8.6638 7.8644 7.6662 3.7619 2.5740 3.1151
H20 4.1907 2.7686 5.2066 2.1456 6.5944 1.0921 7.7157 2.1516 9.0708 4.7161 4.3798 3.0879 2.5447 5.0909 5.3831 3.0470 2.4951 6.7163 6.9403 1.7481 7.8332 7.6357 2.4951 2.5091 3.0612 9.8771 9.3575 9.1917
H21 4.1907 2.7686 5.2066 2.1456 6.5944 1.0921 7.7157 2.1516 9.0708 4.3798 4.7161 2.5447 3.0879 5.3831 5.0909 2.4951 3.0470 6.9403 6.7163 1.7481 7.6357 7.8332 2.4951 3.0612 2.5091 9.8771 9.1917 9.3575
H22 4.1907 5.2066 2.7686 6.5944 2.1456 7.7157 1.0921 9.0708 2.1516 4.3798 4.7161 5.0909 5.3831 3.0879 2.5447 6.7163 6.9403 3.0470 2.4951 7.8332 7.6357 1.7481 9.8771 9.3575 9.1917 2.4951 2.5091 3.0612
H23 4.1907 5.2066 2.7686 6.5944 2.1456 7.7157 1.0921 9.0708 2.1516 4.7161 4.3798 5.3831 5.0909 2.5447 3.0879 6.9403 6.7163 2.4951 3.0470 7.6357 7.8332 1.7481 9.8771 9.1917 9.3575 2.4951 3.0612 2.5091
H24 6.0111 4.7131 7.2575 3.4874 8.5482 2.1727 9.8035 1.0884 11.0825 6.1744 6.1744 4.8698 4.8698 7.3601 7.3601 3.7619 3.7619 8.6638 8.6638 2.4951 2.4951 9.8771 9.8771 1.7606 1.7606 11.9612 11.2065 11.2065
H25 5.2361 4.2188 6.6237 2.7976 7.7442 2.1641 9.1062 1.0891 10.2627 5.4124 5.1201 4.7423 4.4058 6.7443 6.9688 3.1151 2.5740 7.6662 7.8644 2.5091 3.0612 9.3575 9.1917 1.7606 1.7592 11.2065 10.3902 10.2402
H26 5.2361 4.2188 6.6237 2.7976 7.7442 2.1641 9.1062 1.0891 10.2627 5.1201 5.4124 4.4058 4.7423 6.9688 6.7443 2.5740 3.1151 7.8644 7.6662 3.0612 2.5091 9.1917 9.3575 1.7606 1.7592 11.2065 10.2402 10.3902
H27 6.0111 7.2575 4.7131 8.5482 3.4874 9.8035 2.1727 11.0825 1.0884 6.1744 6.1744 7.3601 7.3601 4.8698 4.8698 8.6638 8.6638 3.7619 3.7619 9.8771 9.8771 2.4951 2.4951 11.9612 11.2065 11.2065 1.7606 1.7606
H28 5.2361 6.6237 4.2188 7.7442 2.7976 9.1062 2.1641 10.2627 1.0891 5.1201 5.4124 6.7443 6.9688 4.7423 4.4058 7.6662 7.8644 3.1151 2.5740 9.3575 9.1917 2.5091 3.0612 11.2065 10.3902 10.2402 1.7606 1.7592
H29 5.2361 6.6237 4.2188 7.7442 2.7976 9.1062 2.1641 10.2627 1.0891 5.4124 5.1201 6.9688 6.7443 4.4058 4.7423 7.8644 7.6662 2.5740 3.1151 9.1917 9.3575 3.0612 2.5091 11.2065 10.2402 10.3902 1.7606 1.7592
Maximum atom distance is 11.9612Å 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 113.298 C1 C3 C5 113.298
C2 C1 C3 113.307 C2 C4 C6 113.374
C3 C5 C7 113.374 C4 C6 C8 112.859
C5 C7 C9 112.859
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H12 109.240 C1 C2 H13 109.240
C1 C3 H14 109.240 C1 C3 H15 109.240
C2 C1 H10 109.245 C2 C1 H11 109.245
C2 C4 H16 109.258 C2 C4 H17 109.258
C3 C1 H10 109.245 C3 C1 H11 109.245
C3 C5 H18 109.258 C3 C5 H19 109.258
C4 C2 H12 109.254 C4 C2 H13 109.254
C4 C6 H20 109.093 C4 C6 H21 109.093
C5 C3 H14 109.254 C5 C3 H15 109.254
C5 C7 H22 109.093 C5 C7 H23 109.093
C6 C4 H16 109.212 C6 C4 H17 109.212
C6 C8 H24 111.533 C6 C8 H25 110.801
C6 C8 H26 110.801 C7 C5 H14 96.547
C7 C5 H15 96.547 C7 C9 H27 111.533
C7 C9 H28 110.801 C7 C9 H29 110.801
C8 C6 H20 109.628 C8 C6 H21 109.628
C9 C7 H22 109.628 C9 C7 H23 109.628
H10 C1 H11 106.316 H12 C2 H13 106.319
H14 C3 H15 106.319 H16 C4 H17 106.282
H18 C5 H19 106.282 H20 C6 H21 106.326
H22 C7 H23 106.326 H24 C8 H25 107.908
H24 C8 H26 107.908 H25 C8 H26 107.739
H27 C9 H28 107.908 H27 C9 H29 107.908
H28 C9 H29 107.739

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