Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Geometric Data calculated at MP4=FULL/cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	-0.225	0.000
C2	-0.355	1.088	0.000
H3	1.478	-0.052	0.000
H4	-1.425	0.915	0.000
Cl5	-0.007	-1.134	1.463
Cl6	-0.007	-1.134	-1.463
F7	-0.007	1.807	1.091
F8	-0.007	1.807	-1.091

Atom - Atom Distances (Å)

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5192	1.0834	2.1591	1.7717	1.7717	2.3434	2.3434
C2	1.5192		2.1591	1.0834	2.6829	2.6829	1.3522	1.3522
H3	1.0834	2.1591		3.0598	2.3489	2.3489	2.6175	2.6175
H4	2.1591	1.0834	3.0598		2.8890	2.8890	1.9990	1.9990
Cl5	1.7717	2.6829	2.3489	2.8890		2.9255	2.9640	3.8949
Cl6	1.7717	2.6829	2.3489	2.8890	2.9255		3.8949	2.9640
F7	2.3434	1.3522	2.6175	1.9990	2.9640	3.8949		2.1824
F8	2.3434	1.3522	2.6175	1.9990	3.8949	2.9640	2.1824

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	111.004		C1	C2	F7	109.256
C1	C2	F8	109.256		C2	C1	H3	111.004
C2	C1	Cl5	108.979		C2	C1	Cl6	108.979
H3	C1	Cl5	108.292		H3	C1	Cl6	108.292
H4	C2	F7	109.826		H4	C2	F8	109.826
Cl5	C1	Cl6	111.304		F7	C2	F8	107.602