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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/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8816 1.0102 0.0000   1.3401 0.0000 -0.0450
C2 0.5648 -0.0654 0.0000   -0.4076 0.0000 0.3964
C3 0.5648 -0.8952 1.2603   -1.0507 1.2603 -0.1279
C4 0.5648 -0.8952 -1.2603   -1.0507 -1.2603 -0.1279
H5 1.4079 0.6201 0.0000   -0.4091 0.0000 1.4831
H6 1.4597 -1.5165 1.2884   -2.0977 1.2884 0.1731
H7 1.4597 -1.5165 -1.2884   -2.0977 -1.2884 0.1731
H8 0.5530 -0.2666 2.1461   -0.5560 2.1461 0.2601
H9 0.5530 -0.2666 -2.1461   -0.5560 -2.1461 0.2601
H10 -0.3063 -1.5463 1.2877   -1.0049 1.2877 -1.2145
H11 -0.3063 -1.5463 -1.2877   -1.0049 -1.2877 -1.2145
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8026 2.7039 2.7039 2.3226 3.6777 3.6777 2.8799 2.8799 2.9197 2.9197
C2 1.8026 1.5089 1.5089 1.0866 2.1369 2.1369 2.1555 2.1555 2.1471 2.1471
C3 2.7039 1.5089 2.5206 2.1437 1.0898 2.7718 1.0862 3.4639 1.0879 2.7704
C4 2.7039 1.5089 2.5206 2.1437 2.7718 1.0898 3.4639 1.0862 2.7704 1.0879
H5 2.3226 1.0866 2.1437 2.1437 2.4955 2.4955 2.4744 2.4744 3.0479 3.0479
H6 3.6777 2.1369 1.0898 2.7718 2.4955 2.5767 1.7664 3.7656 1.7663 3.1234
H7 3.6777 2.1369 2.7718 1.0898 2.4955 2.5767 3.7656 1.7664 3.1234 1.7663
H8 2.8799 2.1555 1.0862 3.4639 2.4744 1.7664 3.7656 4.2921 1.7643 3.7638
H9 2.8799 2.1555 3.4639 1.0862 2.4744 3.7656 1.7664 4.2921 3.7638 1.7643
H10 2.9197 2.1471 1.0879 2.7704 3.0479 1.7663 3.1234 1.7643 3.7638 2.5754
H11 2.9197 2.1471 2.7704 1.0879 3.0479 3.1234 1.7663 3.7638 1.7643 2.5754
Maximum atom distance is 4.2921Å 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 109.155 Cl1 C2 C4 109.155
C3 C2 C4 113.281
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.823 C2 C3 H6 109.572
C2 C3 H8 111.276 C2 C3 H10 110.495
C2 C4 H7 109.572 C2 C4 H9 111.276
C2 C4 H11 110.495 C3 C2 H5 110.298
C4 C2 H5 110.298 H6 C3 H8 108.536
H6 C3 H10 108.403 H7 C4 H9 108.536
H7 C4 H11 108.403 H8 C3 H10 108.488
H9 C4 H11 108.488

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