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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8907 1.0238 0.0000   -0.5603 -0.6923 1.0238
C2 0.5700 -0.0750 0.0000   0.3586 0.4431 -0.0750
C3 0.5700 -0.9042 1.2704   1.3461 -0.3561 -0.9042
C4 0.5700 -0.9042 -1.2704   -0.6289 1.2423 -0.9042
H5 1.4217 0.6219 0.0000   0.8944 1.1051 0.6219
H6 1.4771 -1.5306 1.3010   1.9406 0.3298 -1.5306
H7 1.4771 -1.5306 -1.3010   -0.0821 1.9667 -1.5306
H8 0.5610 -0.2657 2.1649   2.0358 -0.9258 -0.2657
H9 0.5610 -0.2657 -2.1649   -1.3299 1.7981 -0.2657
H10 -0.3084 -1.5668 1.3067   0.8217 -1.0617 -1.5668
H11 -0.3084 -1.5668 -1.3067   -1.2097 0.5823 -1.5668
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8278 2.7321 2.7321 2.3470 3.7181 3.7181 2.9081 2.9081 2.9593 2.9593
C2 1.8278 1.5170 1.5170 1.1004 2.1528 2.1528 2.1733 2.1733 2.1690 2.1690
C3 2.7321 1.5170 2.5407 2.1605 1.1029 2.7977 1.0991 3.4941 1.1009 2.8021
C4 2.7321 1.5170 2.5407 2.1605 2.7977 1.1029 3.4941 1.0991 2.8021 1.1009
H5 2.3470 1.1004 2.1605 2.1605 2.5157 2.5157 2.4930 2.4930 3.0807 3.0807
H6 3.7181 2.1528 1.1029 2.7977 2.5157 2.6020 1.7849 3.8016 1.7859 3.1606
H7 3.7181 2.1528 2.7977 1.1029 2.5157 2.6020 3.8016 1.7849 3.1606 1.7859
H8 2.9081 2.1733 1.0991 3.4941 2.4930 1.7849 3.8016 4.3299 1.7848 3.8080
H9 2.9081 2.1733 3.4941 1.0991 2.4930 3.8016 1.7849 4.3299 3.8080 1.7848
H10 2.9593 2.1690 1.1009 2.8021 3.0807 1.7859 3.1606 1.7848 3.8080 2.6134
H11 2.9593 2.1690 2.8021 1.1009 3.0807 3.1606 1.7859 3.8080 1.7848 2.6134
Maximum atom distance is 4.3299Å 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 109.182 Cl1 C2 C4 109.182
C3 C2 C4 113.734
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.869 C2 C3 H6 109.496
C2 C3 H8 111.348 C2 C3 H10 110.893
C2 C4 H7 109.496 C2 C4 H9 111.348
C2 C4 H11 110.893 C3 C2 H5 110.250
C4 C2 H5 110.250 H6 C3 H8 108.306
H6 C3 H10 108.266 H7 C4 H9 108.306
H7 C4 H11 108.266 H8 C3 H10 108.442
H9 C4 H11 108.442

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