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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

HF/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 1.7709   0.0000 0.0000 1.7709
C2 0.7074 1.1037 0.9670   0.7074 1.1037 0.9670
C3 -0.7074 -1.1037 0.9670   -0.7074 -1.1037 0.9670
C4 0.0000 1.5740 -0.3123   0.0000 1.5740 -0.3123
C5 0.0000 -1.5740 -0.3123   0.0000 -1.5740 -0.3123
C6 0.3021 0.7036 -1.5392   0.3021 0.7036 -1.5392
C7 -0.3021 -0.7036 -1.5392   -0.3021 -0.7036 -1.5392
H8 -0.7372 0.4566 2.4271   -0.7372 0.4566 2.4271
H9 0.7372 -0.4566 2.4271   0.7372 -0.4566 2.4271
H10 1.7075 0.7721 0.6978   1.7075 0.7721 0.6978
H11 -1.7075 -0.7721 0.6978   -1.7075 -0.7721 0.6978
H12 0.8507 1.9530 1.6299   0.8507 1.9530 1.6299
H13 -0.8507 -1.9530 1.6299   -0.8507 -1.9530 1.6299
H14 0.3330 2.5843 -0.5357   0.3330 2.5843 -0.5357
H15 -0.3330 -2.5843 -0.5357   -0.3330 -2.5843 -0.5357
H16 -1.0746 1.6411 -0.1511   -1.0746 1.6411 -0.1511
H17 1.0746 -1.6411 -0.1511   1.0746 -1.6411 -0.1511
H18 1.3833 0.6270 -1.6433   1.3833 0.6270 -1.6433
H19 -1.3833 -0.6270 -1.6433   -1.3833 -0.6270 -1.6433
H20 -0.0492 1.2190 -2.4303   -0.0492 1.2190 -2.4303
H21 0.0492 -1.2190 -2.4303   0.0492 -1.2190 -2.4303
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 1.5378 1.5378 2.6110 2.6110 3.3975 3.3975 1.0874 1.0874 2.1594 2.1594 2.1349 2.1349 3.4799 3.4799 2.7463 2.7463 3.7367 3.7367 4.3747 4.3747
C2 1.5378 2.6219 1.5357 3.0508 2.5700 3.2506 2.1535 2.1371 1.0875 3.0697 1.0868 3.4943 2.1426 4.1161 2.1713 2.9865 2.7382 3.7656 3.4824 4.1676
C3 1.5378 2.6219 3.0508 1.5357 3.2506 2.5700 2.1371 2.1535 3.0697 1.0875 3.4943 1.0868 4.1161 2.1426 2.9865 2.1713 3.7656 2.7382 4.1676 3.4824
C4 2.6110 1.5357 3.0508 3.1480 1.5343 2.6046 3.0490 3.4887 2.1399 3.0725 2.1539 4.1152 1.0870 4.1776 1.0887 3.3938 2.1405 2.9205 2.1480 3.5055
C5 2.6110 3.0508 1.5357 3.1480 2.6046 1.5343 3.4887 3.0490 3.0725 2.1399 4.1152 2.1539 4.1776 1.0870 3.3938 1.0887 2.9205 2.1405 3.5055 2.1480
C6 3.3975 2.5700 3.2506 1.5343 2.6046 1.5315 4.1076 4.1553 2.6427 3.3497 3.4503 4.2929 2.1319 3.4958 2.1682 2.8322 1.0889 2.1498 1.0877 2.1341
C7 3.3975 3.2506 2.5700 2.6046 1.5343 1.5315 4.1553 4.1076 3.3497 2.6427 4.2929 3.4503 3.4958 2.1319 2.8322 2.1682 2.1498 1.0889 2.1341 1.0877
H8 1.0874 2.1535 2.1371 3.0490 3.4887 4.1076 4.1553 1.7342 3.0111 2.3327 2.3230 2.5405 3.8014 4.2648 2.8573 3.7855 4.5927 4.2614 4.9647 5.1980
H9 1.0874 2.1371 2.1535 3.4887 3.0490 4.1553 4.1076 1.7342 2.3327 3.0111 2.5405 2.3230 4.2648 3.8014 3.7855 2.8573 4.2614 4.5927 5.1980 4.9647
H10 2.1594 1.0875 3.0697 2.1399 3.0725 2.6427 3.3497 3.0111 2.3327 3.7479 1.7313 3.8521 2.5875 4.1171 3.0358 2.6353 2.3679 4.1220 3.6153 4.0619
H11 2.1594 3.0697 1.0875 3.0725 2.1399 3.3497 2.6427 2.3327 3.0111 3.7479 3.8521 1.7313 4.1171 2.5875 2.6353 3.0358 4.1220 2.3679 4.0619 3.6153
H12 2.1349 1.0868 3.4943 2.1539 4.1152 3.4503 4.2929 2.3230 2.5405 1.7313 3.8521 4.2604 2.3144 5.1650 2.6412 4.0174 3.5715 4.7286 4.2229 5.2142
H13 2.1349 3.4943 1.0868 4.1152 2.1539 4.2929 3.4503 2.5405 2.3230 3.8521 1.7313 4.2604 5.1650 2.3144 4.0174 2.6412 4.7286 3.5715 5.2142 4.2229
H14 3.4799 2.1426 4.1161 1.0870 4.1776 2.1319 3.4958 3.8014 4.2648 2.5875 4.1171 2.3144 5.1650 5.2114 1.7375 4.3073 2.4822 3.8059 2.3663 4.2585
H15 3.4799 4.1161 2.1426 4.1776 1.0870 3.4958 2.1319 4.2648 3.8014 4.1171 2.5875 5.1650 2.3144 5.2114 4.3073 1.7375 3.8059 2.4822 4.2585 2.3663
H16 2.7463 2.1713 2.9865 1.0887 3.3938 2.1682 2.8322 2.8573 3.7855 3.0358 2.6353 2.6412 4.0174 1.7375 4.3073 3.9233 3.0490 2.7324 2.5346 3.8259
H17 2.7463 2.9865 2.1713 3.3938 1.0887 2.8322 2.1682 3.7855 2.8573 2.6353 3.0358 4.0174 2.6412 4.3073 1.7375 3.9233 2.7324 3.0490 3.8259 2.5346
H18 3.7367 2.7382 3.7656 2.1405 2.9205 1.0889 2.1498 4.5927 4.2614 2.3679 4.1220 3.5715 4.7286 2.4822 3.8059 3.0490 2.7324 3.0374 1.7383 2.4097
H19 3.7367 3.7656 2.7382 2.9205 2.1405 2.1498 1.0889 4.2614 4.5927 4.1220 2.3679 4.7286 3.5715 3.8059 2.4822 2.7324 3.0490 3.0374 2.4097 1.7383
H20 4.3747 3.4824 4.1676 2.1480 3.5055 1.0877 2.1341 4.9647 5.1980 3.6153 4.0619 4.2229 5.2142 2.3663 4.2585 2.5346 3.8259 1.7383 2.4097 2.4399
H21 4.3747 4.1676 3.4824 3.5055 2.1480 2.1341 1.0877 5.1980 4.9647 4.0619 3.6153 5.2142 4.2229 4.2585 2.3663 3.8259 2.5346 2.4097 1.7383 2.4399
Maximum atom distance is 5.2142Å between atoms H12 and H21.
picture of cycloheptane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 116.321 C1 C3 C5 116.321
C2 C1 C3 116.966 C2 C4 C6 113.685
C3 C5 C7 113.685 C4 C6 C7 116.334
C5 C7 C6 116.334
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 109.486 C1 C2 H12 107.617
C1 C3 H11 109.486 C1 C3 H13 107.617
C2 C1 H8 109.024 C2 C1 H9 107.755
C2 C4 H14 108.346 C2 C4 H16 110.499
C3 C1 H8 107.755 C3 C1 H9 109.024
C3 C5 H15 108.346 C3 C5 H17 110.499
C4 C2 H10 108.109 C4 C2 H12 109.240
C4 C6 H18 108.176 C4 C6 H20 108.827
C5 C3 H11 108.109 C5 C3 H13 109.240
C5 C7 H19 108.176 C5 C7 H21 108.827
C6 C4 H14 107.616 C6 C4 H16 110.349
C6 C7 H19 109.088 C6 C7 H21 107.935
C7 C5 H15 107.616 C7 C5 H17 110.349
C7 C6 H18 109.088 C7 C6 H20 107.935
H8 C1 H9 105.765 H10 C2 H12 105.544
H11 C3 H13 105.544 H14 C4 H16 105.992
H15 C5 H17 105.992 H18 C6 H20 106.006
H19 C7 H21 106.006

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