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Geometry for C7H14 (cycloheptane) 1A C2

1910171554
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2 INChIKey=DMEGYFMYUHOHGS-UHFFFAOYSA-N

M06-2X/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.7747   1.7062 0.4883 0.0000
C2 0.7301 1.0751 0.9579   0.6251 1.2972 0.7301
C3 -0.7301 -1.0751 0.9579   1.2168 -0.7700 -0.7301
C4 0.0000 1.5584 -0.3035   -0.7206 1.4148 0.0000
C5 0.0000 -1.5584 -0.3035   0.1370 -1.5818 0.0000
C6 0.3018 0.7025 -1.5395   -1.6734 0.2518 0.3018
C7 -0.3018 -0.7025 -1.5395   -1.2867 -1.0990 -0.3018
H8 -0.7308 0.4821 2.4348   2.2082 1.1334 -0.7308
H9 0.7308 -0.4821 2.4348   2.4735 0.2065 0.7308
H10 1.7147 0.6973 0.6533   0.4362 0.8502 1.7147
H11 -1.7147 -0.6973 0.6533   0.8200 -0.4906 -1.7147
H12 0.9316 1.9253 1.6187   1.0264 2.2963 0.9316
H13 -0.9316 -1.9253 1.6187   2.0859 -1.4056 -0.9316
H14 0.3111 2.5862 -0.5203   -1.2118 2.3432 0.3111
H15 -0.3111 -2.5862 -0.5203   0.2114 -2.6295 -0.3111
H16 -1.0836 1.5988 -0.1259   -0.5610 1.5024 -1.0836
H17 1.0836 -1.5988 -0.1259   0.3189 -1.5717 1.0836
H18 1.3934 0.6233 -1.6377   -1.7460 0.1486 1.3934
H19 -1.3934 -0.6233 -1.6377   -1.4030 -1.0499 -1.3934
H20 -0.0474 1.2270 -2.4367   -2.6802 0.5091 -0.0474
H21 0.0474 -1.2270 -2.4367   -2.0050 -1.8501 0.0474
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21
C1 1.5349 1.5349 2.5976 2.5976 3.4012 3.4012 1.0965 1.0965 2.1642 2.1642 2.1445 2.1445 3.4716 3.4716 2.7097 2.7097 3.7382 3.7382 4.3867 4.3867
C2 1.5349 2.5992 1.5356 3.0099 2.5611 3.2345 2.1603 2.1462 1.0977 3.0350 1.0954 3.4928 2.1550 4.0834 2.1768 2.9068 2.7169 3.7591 3.4859 4.1580
C3 1.5349 2.5992 3.0099 1.5356 3.2345 2.5611 2.1462 2.1603 3.0350 1.0977 3.4928 1.0954 4.0834 2.1550 2.9068 2.1768 3.7591 2.7169 4.1580 3.4859
C4 2.5976 1.5356 3.0099 3.1169 1.5334 2.5944 3.0317 3.4923 2.1441 2.9907 2.1673 4.0864 1.0955 4.1619 1.0988 3.3427 2.1438 2.9123 2.1593 3.5087
C5 2.5976 3.0099 1.5356 3.1169 2.5944 1.5334 3.4923 3.0317 2.9907 2.1441 4.0864 2.1673 4.1619 1.0955 3.3427 1.0988 2.9123 2.1438 3.5087 2.1593
C6 3.4012 2.5611 3.2345 1.5334 2.5944 1.5293 4.1122 4.1692 2.6085 3.2916 3.4446 4.2896 2.1417 3.4972 2.1728 2.8116 1.0988 2.1544 1.0964 2.1431
C7 3.4012 3.2345 2.5611 2.5944 1.5334 1.5293 4.1692 4.1122 3.2916 2.6085 4.2896 3.4446 3.4972 2.1417 2.8116 2.1728 2.1544 1.0988 2.1431 1.0964
H8 1.0965 2.1603 2.1462 3.0317 3.4923 4.1122 4.1692 1.7509 3.0332 2.3522 2.3478 2.5499 3.7743 4.2806 2.8158 3.7655 4.5954 4.2716 4.9753 5.2209
H9 1.0965 2.1462 2.1603 3.4923 3.0317 4.1692 4.1122 1.7509 2.3522 3.0332 2.5499 2.3478 4.2806 3.7743 3.7655 2.8158 4.2716 4.5954 5.2209 4.9753
H10 2.1642 1.0977 3.0350 2.1441 2.9907 2.6085 3.2916 3.0332 2.3522 3.7022 1.7473 3.8487 2.6297 4.0327 3.0415 2.5055 2.3146 4.0808 3.5964 4.0038
H11 2.1642 3.0350 1.0977 2.9907 2.1441 3.2916 2.6085 2.3522 3.0332 3.7022 3.8487 1.7473 4.0327 2.6297 2.5055 3.0415 4.0808 2.3146 4.0038 3.5964
H12 2.1445 1.0954 3.4928 2.1673 4.0864 3.4446 4.2896 2.3478 2.5499 1.7473 3.8487 4.2776 2.3231 5.1452 2.6853 3.9352 3.5372 4.7439 4.2299 5.2119
H13 2.1445 3.4928 1.0954 4.0864 2.1673 4.2896 3.4446 2.5499 2.3478 3.8487 1.7473 4.2776 5.1452 2.3231 3.9352 2.6853 4.7439 3.5372 5.2119 4.2299
H14 3.4716 2.1550 4.0834 1.0955 4.1619 2.1417 3.4972 3.7743 4.2806 2.6297 4.0327 2.3231 5.1452 5.2097 1.7538 4.2739 2.5046 3.8019 2.3767 4.2758
H15 3.4716 4.0834 2.1550 4.1619 1.0955 3.4972 2.1417 4.2806 3.7743 4.0327 2.6297 5.1452 2.3231 5.2097 4.2739 1.7538 3.8019 2.5046 4.2758 2.3767
H16 2.7097 2.1768 2.9068 1.0988 3.3427 2.1728 2.8116 2.8158 3.7655 3.0415 2.5055 2.6853 3.9352 1.7538 4.2739 3.8628 3.0615 2.7054 2.5596 3.8215
H17 2.7097 2.9068 2.1768 3.3427 1.0988 2.8116 2.1728 3.7655 2.8158 2.5055 3.0415 3.9352 2.6853 4.2739 1.7538 3.8628 2.7054 3.0615 3.8215 2.5596
H18 3.7382 2.7169 3.7591 2.1438 2.9123 1.0988 2.1544 4.5954 4.2716 2.3146 4.0808 3.5372 4.7439 2.5046 3.8019 3.0615 2.7054 3.0529 1.7547 2.4235
H19 3.7382 3.7591 2.7169 2.9123 2.1438 2.1544 1.0988 4.2716 4.5954 4.0808 2.3146 4.7439 3.5372 3.8019 2.5046 2.7054 3.0615 3.0529 2.4235 1.7547
H20 4.3867 3.4859 4.1580 2.1593 3.5087 1.0964 2.1431 4.9753 5.2209 3.5964 4.0038 4.2299 5.2119 2.3767 4.2758 2.5596 3.8215 1.7547 2.4235 2.4558
H21 4.3867 4.1580 3.4859 3.5087 2.1593 2.1431 1.0964 5.2209 4.9753 4.0038 3.5964 5.2119 4.2299 4.2758 2.3767 3.8215 2.5596 2.4235 1.7547 2.4558
Maximum atom distance is 5.2209Å between atoms H8 and H21.
picture of cycloheptane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 115.557 C1 C3 C5 115.557
C2 C1 C3 115.705 C2 C4 C6 113.133
C3 C5 C7 113.133 C4 C6 C7 115.793
C5 C7 C6 115.793
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 109.467 C1 C2 H12 108.069
C1 C3 H11 109.467 C1 C3 H13 108.069
C2 C1 H8 109.234 C2 C1 H9 108.137
C2 C4 H14 108.836 C2 C4 H16 110.346
C3 C1 H8 108.137 C3 C1 H9 109.234
C3 C5 H15 108.836 C3 C5 H17 110.346
C4 C2 H10 107.868 C4 C2 H12 109.795
C4 C6 H18 107.928 C4 C6 H20 109.265
C5 C3 H11 107.868 C5 C3 H13 109.795
C5 C7 H19 107.928 C5 C7 H21 109.265
C6 C4 H14 107.953 C6 C4 H16 110.175
C6 C7 H19 109.020 C6 C7 H21 108.283
C7 C5 H15 107.953 C7 C5 H17 110.175
C7 C6 H18 109.020 C7 C6 H20 108.283
H8 C1 H9 105.962 H10 C2 H12 105.637
H11 C3 H13 105.637 H14 C4 H16 106.116
H15 C5 H17 106.116 H18 C6 H20 106.131
H19 C7 H21 106.131

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