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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9509 1.0141 0.0000   1.3895 0.0000 -0.0429
C2 0.6131 -0.0751 0.0000   -0.4617 0.0000 0.4103
C3 0.6131 -0.8992 1.2810   -1.0800 1.2810 -0.1345
C4 0.6131 -0.8992 -1.2810   -1.0800 -1.2810 -0.1345
H5 1.4040 0.6544 0.0000   -0.4373 0.0000 1.4860
H6 1.5193 -1.4962 1.3217   -2.1270 1.3217 0.1507
H7 1.5193 -1.4962 -1.3217   -2.1270 -1.3217 0.1507
H8 0.5815 -0.2642 2.1555   -0.5826 2.1555 0.2616
H9 0.5815 -0.2642 -2.1555   -0.5826 -2.1555 0.2616
H10 -0.2384 -1.5664 1.3103   -1.0176 1.3103 -1.2145
H11 -0.2384 -1.5664 -1.3103   -1.0176 -1.3103 -1.2145
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9059 2.7834 2.7834 2.3822 3.7617 3.7617 2.9374 2.9374 2.9805 2.9805
C2 1.9059 1.5231 1.5231 1.0760 2.1419 2.1419 2.1640 2.1640 2.1600 2.1600
C3 2.7834 1.5231 2.5620 2.1633 1.0860 2.8199 1.0812 3.4948 1.0822 2.8080
C4 2.7834 1.5231 2.5620 2.1633 2.8199 1.0860 3.4948 1.0812 2.8080 1.0822
H5 2.3822 1.0760 2.1633 2.1633 2.5269 2.5269 2.4832 2.4832 3.0572 3.0572
H6 3.7617 2.1419 1.0860 2.8199 2.5269 2.6435 1.7585 3.8064 1.7592 3.1658
H7 3.7617 2.1419 2.8199 1.0860 2.5269 2.6435 3.8064 1.7585 3.1658 1.7592
H8 2.9374 2.1640 1.0812 3.4948 2.4832 1.7585 3.8064 4.3109 1.7557 3.7920
H9 2.9374 2.1640 3.4948 1.0812 2.4832 3.8064 1.7585 4.3109 3.7920 1.7557
H10 2.9805 2.1600 1.0822 2.8080 3.0572 1.7592 3.1658 1.7557 3.7920 2.6205
H11 2.9805 2.1600 2.8080 1.0822 3.0572 3.1658 1.7592 3.7920 1.7557 2.6205
Maximum atom distance is 4.3109Å 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 108.010 Cl1 C2 C4 108.010
C3 C2 C4 114.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.894 C2 C3 H6 109.207
C2 C3 H8 111.253 C2 C3 H10 110.872
C2 C4 H7 109.207 C2 C4 H9 111.253
C2 C4 H11 110.872 C3 C2 H5 111.519
C4 C2 H5 111.519 H6 C3 H8 108.478
H6 C3 H10 108.460 H7 C4 H9 108.478
H7 C4 H11 108.460 H8 C3 H10 108.496
H9 C4 H11 108.496

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