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Geometry for C7H12 (Norbornane) 1A1 C2V

1910171554
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2 INChIKey=UMRZSTCPUPJPOJ-UHFFFAOYSA-N

CCD/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 1.3848   0.0000 0.0000 1.3848
C2 0.0000 1.1303 0.3383   0.0000 1.1303 0.3383
C3 0.0000 -1.1303 0.3383   0.0000 -1.1303 0.3383
C4 1.2528 0.7802 -0.4920   1.2528 0.7802 -0.4920
C5 -1.2528 0.7802 -0.4920   -1.2528 0.7802 -0.4920
C6 -1.2528 -0.7802 -0.4920   -1.2528 -0.7802 -0.4920
C7 1.2528 -0.7802 -0.4920   1.2528 -0.7802 -0.4920
H8 -0.8931 0.0000 2.0236   -0.8931 0.0000 2.0236
H9 0.8931 0.0000 2.0236   0.8931 0.0000 2.0236
H10 0.0000 2.1544 0.7294   0.0000 2.1544 0.7294
H11 0.0000 -2.1544 0.7294   0.0000 -2.1544 0.7294
H12 2.1593 1.1743 -0.0146   2.1593 1.1743 -0.0146
H13 -2.1593 -1.1743 -0.0146   -2.1593 -1.1743 -0.0146
H14 2.1593 -1.1743 -0.0146   2.1593 -1.1743 -0.0146
H15 -2.1593 1.1743 -0.0146   -2.1593 1.1743 -0.0146
H16 1.2081 -1.2063 -1.5021   1.2081 -1.2063 -1.5021
H17 -1.2081 1.2063 -1.5021   -1.2081 1.2063 -1.5021
H18 1.2081 1.2063 -1.5021   1.2081 1.2063 -1.5021
H19 -1.2081 -1.2063 -1.5021   -1.2081 -1.2063 -1.5021
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5403 1.5403 2.3875 2.3875 2.3875 2.3875 1.0981 1.0981 2.2519 2.2519 2.8284 2.8284 2.8284 2.8284 3.3539 3.3539 3.3539 3.3539
C2 1.5403 2.2605 1.5432 1.5432 2.4308 2.4308 2.2170 2.2170 1.0963 3.3079 2.1884 3.1777 3.1777 2.1884 3.2103 2.2029 2.2029 3.2103
C3 1.5403 2.2605 2.4308 2.4308 1.5432 1.5432 2.2170 2.2170 3.3079 1.0963 3.1777 2.1884 2.1884 3.1777 2.2029 3.2103 3.2103 2.2029
C4 2.3875 1.5432 2.4308 2.5055 2.9517 1.5605 3.3973 2.6582 2.2248 3.4166 1.0977 3.9611 2.2068 3.4677 2.2290 2.6940 1.0972 3.3200
C5 2.3875 1.5432 2.4308 2.5055 1.5605 2.9517 2.6582 3.3973 2.2248 3.4166 3.4677 2.2068 3.9611 1.0977 3.3200 1.0972 2.6940 2.2290
C6 2.3875 2.4308 1.5432 2.9517 1.5605 2.5055 2.6582 3.3973 3.4166 2.2248 3.9611 1.0977 3.4677 2.2068 2.6940 2.2290 3.3200 1.0972
C7 2.3875 2.4308 1.5432 1.5605 2.9517 2.5055 3.3973 2.6582 3.4166 2.2248 2.2068 3.4677 1.0977 3.9611 1.0972 3.3200 2.2290 2.6940
H8 1.0981 2.2170 2.2170 3.3973 2.6582 2.6582 3.3973 1.7862 2.6673 2.6673 3.8536 2.6714 3.8536 2.6714 4.2780 3.7397 4.2780 3.7397
H9 1.0981 2.2170 2.2170 2.6582 3.3973 3.3973 2.6582 1.7862 2.6673 2.6673 2.6714 3.8536 2.6714 3.8536 3.7397 4.2780 3.7397 4.2780
H10 2.2519 1.0963 3.3079 2.2248 2.2248 3.4166 3.4166 2.6673 2.6673 4.3089 2.4853 4.0369 4.0369 2.4853 4.2111 2.7089 2.7089 4.2111
H11 2.2519 3.3079 1.0963 3.4166 3.4166 2.2248 2.2248 2.6673 2.6673 4.3089 4.0369 2.4853 2.4853 4.0369 2.7089 4.2111 4.2111 2.7089
H12 2.8284 2.1884 3.1777 1.0977 3.4677 3.9611 2.2068 3.8536 2.6714 2.4853 4.0369 4.9159 2.3486 4.3186 2.9638 3.6815 1.7659 4.3840
H13 2.8284 3.1777 2.1884 3.9611 2.2068 1.0977 3.4677 2.6714 3.8536 4.0369 2.4853 4.9159 4.3186 2.3486 3.6815 2.9638 4.3840 1.7659
H14 2.8284 3.1777 2.1884 2.2068 3.9611 3.4677 1.0977 3.8536 2.6714 4.0369 2.4853 2.3486 4.3186 4.9159 1.7659 4.3840 2.9638 3.6815
H15 2.8284 2.1884 3.1777 3.4677 1.0977 2.2068 3.9611 2.6714 3.8536 2.4853 4.0369 4.3186 2.3486 4.9159 4.3840 1.7659 3.6815 2.9638
H16 3.3539 3.2103 2.2029 2.2290 3.3200 2.6940 1.0972 4.2780 3.7397 4.2111 2.7089 2.9638 3.6815 1.7659 4.3840 3.4145 2.4125 2.4163
H17 3.3539 2.2029 3.2103 2.6940 1.0972 2.2290 3.3200 3.7397 4.2780 2.7089 4.2111 3.6815 2.9638 4.3840 1.7659 3.4145 2.4163 2.4125
H18 3.3539 2.2029 3.2103 1.0972 2.6940 3.3200 2.2290 4.2780 3.7397 2.7089 4.2111 1.7659 4.3840 2.9638 3.6815 2.4125 2.4163 3.4145
H19 3.3539 3.2103 2.2029 3.3200 2.2290 1.0972 2.6940 3.7397 4.2780 4.2111 2.7089 4.3840 1.7659 3.6815 2.9638 2.4163 2.4125 3.4145
Maximum atom distance is 4.9159Å between atoms H12 and H13.
picture of Norbornane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 101.484 C1 C2 C5 101.484
C1 C3 C6 101.484 C1 C3 C7 101.484
C2 C1 C3 94.411 C2 C4 C7 103.110
C2 C5 C6 103.110 C3 C6 C5 103.110
C3 C7 C4 103.110 C4 C2 C5 108.547
C6 C3 C7 108.547
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.308 C1 C3 H11 116.308
C2 C1 H8 113.282 C2 C1 H9 113.282
C2 C4 H12 110.795 C2 C4 H18 111.979
C2 C5 H15 110.795 C2 C5 H17 111.979
C3 C1 H8 113.282 C3 C1 H9 113.282
C3 C6 H13 110.795 C3 C6 H19 111.979
C3 C7 H14 110.795 C3 C7 H16 111.979
C4 C2 H10 113.818 C4 C7 H14 111.037
C4 C7 H16 112.848 C5 C2 H10 113.818
C5 C6 H13 111.037 C5 C6 H19 112.848
C6 C3 H11 113.818 C6 C5 H15 111.037
C6 C5 H17 112.848 C7 C3 H11 113.818
C7 C4 H12 111.037 C7 C4 H18 112.848
H8 C1 H9 108.846 H12 C4 H18 107.131
H13 C6 H19 107.131 H14 C7 H16 107.131
H15 C5 H17 107.131

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