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	hartrees
Energy at 0K	-698.635948
Energy at 298.15K	-698.638200
HF Energy	-698.635948
Nuclear repulsion energy	167.976985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3008	10.35
2	A'	1320	1262	58.87
3	A'	1131	1082	229.89
4	A'	808	773	155.25
5	A'	605	579	6.41
6	A'	413	395	0.10
7	A"	1390	1330	12.34
8	A"	1150	1100	235.92
9	A"	367	351	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.572	-0.080	0.000
H2	-1.443	0.559	0.000
Cl3	0.893	0.918	0.000
F4	-0.572	-0.871	1.081
F5	-0.572	-0.871	-1.081

	C1	H2	Cl3	F4	F5
C1		1.0803	1.7731	1.3391	1.3391
H2	1.0803		2.3636	1.9928	1.9928
Cl3	1.7731	2.3636		2.5527	2.5527
F4	1.3391	1.9928	2.5527		2.1611
F5	1.3391	1.9928	2.5527	2.1611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.456	H2	C1	F4	110.454
H2	C1	Cl5	110.454	F3	C1	F4	109.426
F3	C1	Cl5	109.426	F4	C1	Cl5	107.594

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.503
2	H	0.282
3	Cl	-0.139
4	F	-0.323
5	F	-0.323

	x	y	z	Total
	-1.148	0.883	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	4.887	0.703	0.000
y	0.703	4.697	0.000
z	0.000	0.000	4.278

<r²>	90.667
(<r²>)^1/2	9.522

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)