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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

MP2=FULL/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.3870   0.0000 0.0000 1.3870
C2 0.0000 1.1316 0.3404   0.0000 1.1316 0.3404
C3 0.0000 -1.1316 0.3404   0.0000 -1.1316 0.3404
C4 1.2494 0.7805 -0.4932   1.2494 0.7805 -0.4932
C5 -1.2494 0.7805 -0.4932   -1.2494 0.7805 -0.4932
C6 -1.2494 -0.7805 -0.4932   -1.2494 -0.7805 -0.4932
C7 1.2494 -0.7805 -0.4932   1.2494 -0.7805 -0.4932
H8 -0.8999 0.0000 2.0253   -0.8999 0.0000 2.0253
H9 0.8999 0.0000 2.0253   0.8999 0.0000 2.0253
H10 0.0000 2.1602 0.7331   0.0000 2.1602 0.7331
H11 0.0000 -2.1602 0.7331   0.0000 -2.1602 0.7331
H12 2.1607 1.1756 -0.0142   2.1607 1.1756 -0.0142
H13 -2.1607 -1.1756 -0.0142   -2.1607 -1.1756 -0.0142
H14 2.1607 -1.1756 -0.0142   2.1607 -1.1756 -0.0142
H15 -2.1607 1.1756 -0.0142   -2.1607 1.1756 -0.0142
H16 1.1974 -1.2083 -1.5078   1.1974 -1.2083 -1.5078
H17 -1.1974 1.2083 -1.5078   -1.1974 1.2083 -1.5078
H18 1.1974 1.2083 -1.5078   1.1974 1.2083 -1.5078
H19 -1.1974 -1.2083 -1.5078   -1.1974 -1.2083 -1.5078
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19
C1 1.5414 1.5414 2.3886 2.3886 2.3886 2.3886 1.1033 1.1033 2.2570 2.2570 2.8309 2.8309 2.8309 2.8309 3.3576 3.3576 3.3576 3.3576
C2 1.5414 2.2633 1.5425 1.5425 2.4315 2.4315 2.2202 2.2202 1.1010 3.3152 2.1900 3.1808 3.1808 2.1900 3.2133 2.2035 2.2035 3.2133
C3 1.5414 2.2633 2.4315 2.4315 1.5425 1.5425 2.2202 2.2202 3.3152 1.1010 3.1808 2.1900 2.1900 3.1808 2.2035 3.2133 3.2133 2.2035
C4 2.3886 1.5425 2.4315 2.4988 2.9463 1.5609 3.4017 2.6596 2.2290 3.4223 1.1027 3.9603 2.2104 3.4661 2.2333 2.6832 1.1024 3.3123
C5 2.3886 1.5425 2.4315 2.4988 1.5609 2.9463 2.6596 3.4017 2.2290 3.4223 3.4661 2.2104 3.9603 1.1027 3.3123 1.1024 2.6832 2.2333
C6 2.3886 2.4315 1.5425 2.9463 1.5609 2.4988 2.6596 3.4017 3.4223 2.2290 3.9603 1.1027 3.4661 2.2104 2.6832 2.2333 3.3123 1.1024
C7 2.3886 2.4315 1.5425 1.5609 2.9463 2.4988 3.4017 2.6596 3.4223 2.2290 2.2104 3.4661 1.1027 3.9603 1.1024 3.3123 2.2333 2.6832
H8 1.1033 2.2202 2.2202 3.4017 2.6596 2.6596 3.4017 1.7999 2.6732 2.6732 3.8612 2.6704 3.8612 2.6704 4.2827 3.7458 4.2827 3.7458
H9 1.1033 2.2202 2.2202 2.6596 3.4017 3.4017 2.6596 1.7999 2.6732 2.6732 2.6704 3.8612 2.6704 3.8612 3.7458 4.2827 3.7458 4.2827
H10 2.2570 1.1010 3.3152 2.2290 2.2290 3.4223 3.4223 2.6732 2.6732 4.3204 2.4892 4.0441 4.0441 2.4892 4.2193 2.7132 2.7132 4.2193
H11 2.2570 3.3152 1.1010 3.4223 3.4223 2.2290 2.2290 2.6732 2.6732 4.3204 4.0441 2.4892 2.4892 4.0441 2.7132 4.2193 4.2193 2.7132
H12 2.8309 2.1900 3.1808 1.1027 3.4661 3.9603 2.2104 3.8612 2.6704 2.4892 4.0441 4.9196 2.3513 4.3213 2.9735 3.6754 1.7776 4.3807
H13 2.8309 3.1808 2.1900 3.9603 2.2104 1.1027 3.4661 2.6704 3.8612 4.0441 2.4892 4.9196 4.3213 2.3513 3.6754 2.9735 4.3807 1.7776
H14 2.8309 3.1808 2.1900 2.2104 3.9603 3.4661 1.1027 3.8612 2.6704 4.0441 2.4892 2.3513 4.3213 4.9196 1.7776 4.3807 2.9735 3.6754
H15 2.8309 2.1900 3.1808 3.4661 1.1027 2.2104 3.9603 2.6704 3.8612 2.4892 4.0441 4.3213 2.3513 4.9196 4.3807 1.7776 3.6754 2.9735
H16 3.3576 3.2133 2.2035 2.2333 3.3123 2.6832 1.1024 4.2827 3.7458 4.2193 2.7132 2.9735 3.6754 1.7776 4.3807 3.4022 2.4166 2.3948
H17 3.3576 2.2035 3.2133 2.6832 1.1024 2.2333 3.3123 3.7458 4.2827 2.7132 4.2193 3.6754 2.9735 4.3807 1.7776 3.4022 2.3948 2.4166
H18 3.3576 2.2035 3.2133 1.1024 2.6832 3.3123 2.2333 4.2827 3.7458 2.7132 4.2193 1.7776 4.3807 2.9735 3.6754 2.4166 2.3948 3.4022
H19 3.3576 3.2133 2.2035 3.3123 2.2333 1.1024 2.6832 3.7458 4.2827 4.2193 2.7132 4.3807 1.7776 3.6754 2.9735 2.3948 2.4166 3.4022
Maximum atom distance is 4.9196Å 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 101.525 C1 C2 C5 101.525
C1 C3 C6 101.525 C1 C3 C7 101.525
C2 C1 C3 94.472 C2 C4 C7 103.160
C2 C5 C6 103.160 C3 C6 C5 103.160
C3 C7 C4 103.160 C4 C2 C5 108.193
C6 C3 C7 108.193
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H10 116.340 C1 C3 H11 116.340
C2 C1 H8 113.128 C2 C1 H9 113.128
C2 C4 H12 110.676 C2 C4 H18 111.767
C2 C5 H15 110.676 C2 C5 H17 111.767
C3 C1 H8 113.128 C3 C1 H9 113.128
C3 C6 H13 110.676 C3 C6 H19 111.767
C3 C7 H14 110.676 C3 C7 H16 111.767
C4 C2 H10 113.919 C4 C7 H14 110.999
C4 C7 H16 112.835 C5 C2 H10 113.919
C5 C6 H13 110.999 C5 C6 H19 112.835
C6 C3 H11 113.919 C6 C5 H15 110.999
C6 C5 H17 112.835 C7 C3 H11 113.919
C7 C4 H12 110.999 C7 C4 H18 112.835
H8 C1 H9 109.311 H12 C4 H18 107.439
H13 C6 H19 107.439 H14 C7 H16 107.439
H15 C5 H17 107.439

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