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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

B1B95/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8917 1.0133 0.0000   1.3491 0.0000 -0.0445
C2 0.5715 -0.0693 0.0000   -0.4167 0.0000 0.3972
C3 0.5715 -0.8968 1.2613   -1.0556 1.2613 -0.1287
C4 0.5715 -0.8968 -1.2613   -1.0556 -1.2613 -0.1287
H5 1.4109 0.6215 0.0000   -0.4169 0.0000 1.4843
H6 1.4699 -1.5150 1.2909   -2.1039 1.2909 0.1721
H7 1.4699 -1.5150 -1.2909   -2.1039 -1.2909 0.1721
H8 0.5581 -0.2674 2.1477   -0.5611 2.1477 0.2610
H9 0.5581 -0.2674 -2.1477   -0.5611 -2.1477 0.2610
H10 -0.2972 -1.5526 1.2904   -1.0098 1.2904 -1.2162
H11 -0.2972 -1.5526 -1.2904   -1.0098 -1.2904 -1.2162
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8202 2.7167 2.7167 2.3357 3.6927 3.6927 2.8904 2.8904 2.9330 2.9330
C2 1.8202 1.5086 1.5086 1.0871 2.1362 2.1362 2.1569 2.1569 2.1494 2.1494
C3 2.7167 1.5086 2.5227 2.1450 1.0910 2.7755 1.0872 3.4667 1.0888 2.7742
C4 2.7167 1.5086 2.5227 2.1450 2.7755 1.0910 3.4667 1.0872 2.7742 1.0888
H5 2.3357 1.0871 2.1450 2.1450 2.4969 2.4969 2.4759 2.4759 3.0511 3.0511
H6 3.6927 2.1362 1.0910 2.7755 2.4969 2.5818 1.7669 3.7699 1.7675 3.1285
H7 3.6927 2.1362 2.7755 1.0910 2.4969 2.5818 3.7699 1.7669 3.1285 1.7675
H8 2.8904 2.1569 1.0872 3.4667 2.4759 1.7669 3.7699 4.2954 1.7658 3.7688
H9 2.8904 2.1569 3.4667 1.0872 2.4759 3.7699 1.7669 4.2954 3.7688 1.7658
H10 2.9330 2.1494 1.0888 2.7742 3.0511 1.7675 3.1285 1.7658 3.7688 2.5808
H11 2.9330 2.1494 2.7742 1.0888 3.0511 3.1285 1.7675 3.7688 1.7658 2.5808
Maximum atom distance is 4.2954Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 109.043 Cl1 C2 C4 109.043
C3 C2 C4 113.465
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.949 C2 C3 H6 109.479
C2 C3 H8 111.351 C2 C3 H10 110.652
C2 C4 H7 109.479 C2 C4 H9 111.351
C2 C4 H11 110.652 C3 C2 H5 110.399
C4 C2 H5 110.399 H6 C3 H8 108.429
H6 C3 H10 108.364 H7 C4 H9 108.429
H7 C4 H11 108.364 H8 C3 H10 108.487
H9 C4 H11 108.487

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