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	hartrees
Energy at 0K	-695.112985
Energy at 298.15K	-695.115146
HF Energy	-695.112985
Nuclear repulsion energy	165.062893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3028	26.31
2	A'	1367	1296	69.20
3	A'	1111	1053	179.16
4	A'	775	734	179.98
5	A'	565	536	13.73
6	A'	386	366	0.24
7	A"	1429	1354	26.56
8	A"	1191	1129	150.70
9	A"	349	331	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.580	-0.083	0.000
H2	-1.432	0.583	0.000
Cl3	0.902	0.922	0.000
F4	-0.580	-0.875	1.116
F5	-0.580	-0.875	-1.116

	C1	H2	Cl3	F4	F5
C1		1.0823	1.7905	1.3681	1.3681
H2	1.0823		2.3593	2.0245	2.0245
Cl3	1.7905	2.3593		2.5826	2.5826
F4	1.3681	2.0245	2.5826		2.2311
F5	1.3681	2.0245	2.5826	2.2311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.865	H2	C1	F4	110.879
H2	C1	Cl5	110.879	F3	C1	F4	108.960
F3	C1	Cl5	108.960	F4	C1	Cl5	109.248

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: wB97X-D/3-21G*

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	0.305
2	H	0.265
3	Cl	-0.018
4	F	-0.276
5	F	-0.276

	x	y	z	Total
	-1.401	0.974	0.000	1.707
CHELPG
AIM
ESP

	x	y	z
x	3.291	0.911	0.000
y	0.911	2.870	0.000
z	0.000	0.000	2.336

<r²>	92.965
(<r²>)^1/2	9.642

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)