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Geometry for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR) 1A C2

1910171554
InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H/t1-,2-/m1/s1 INChIKey=IDSKMUOSMAUASS-JCYAYHJZSA-N

CID/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2220 0.7262 0.3941   0.4360 -0.1204 0.7262
C2 0.2220 -0.7262 0.3941   0.3289 0.3104 -0.7262
H3 -1.3001 0.8042 0.3582   0.6611 -1.1754 0.8042
H4 1.3001 -0.8042 0.3582   0.0343 1.3481 -0.8042
F5 0.2220 1.2819 1.5364   1.4376 0.5858 1.2819
F6 -0.2220 -1.2819 1.5364   1.5446 0.1549 -1.2819
Cl7 0.4548 1.6017 -0.9735   -1.0545 0.2067 1.6017
Cl8 -0.4548 -1.6017 -0.9735   -0.8352 -0.6760 -1.6017
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5188 1.0815 2.1587 1.3457 2.3104 1.7592 2.7100
C2 1.5188 2.1587 1.0815 2.3104 1.3457 2.7100 1.7592
H3 1.0815 2.1587 3.0574 1.9832 2.6272 2.3429 2.8769
H4 2.1587 1.0815 3.0574 2.6272 1.9832 2.8769 2.3429
F5 1.3457 2.3104 1.9832 2.6272 2.6020 2.5409 3.8824
F6 2.3104 1.3457 2.6272 1.9832 2.6020 3.8824 2.5409
Cl7 1.7592 2.7100 2.3429 2.8769 2.5409 3.8824 3.3300
Cl8 2.7100 1.7592 2.8769 2.3429 3.8824 2.5409 3.3300
Maximum atom distance is 3.8824Å between atoms F5 and Cl8.
picture of 1,2-dichloro-1,2-difluoroethane RR
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 107.366 C1 C2 Cl8 111.313
C2 C1 F5 107.366 C2 C1 Cl7 111.313
F5 C1 Cl7 109.118 F6 C2 Cl8 109.118
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.119 C2 C1 H3 111.119
H3 C1 F5 109.102 H3 C1 Cl7 108.775
H4 C2 F6 109.102 H4 C2 Cl8 108.775

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