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	hartrees
Energy at 0K	-253.324620
Energy at 298.15K	-253.326653
Nuclear repulsion energy	106.137553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3093	16.97
2	A'	1288	1238	55.63
3	A'	1018	978	208.27
4	A'	735	707	147.00
5	A'	529	509	11.62
6	A'	367	353	0.32
7	A"	1326	1274	12.01
8	A"	1047	1006	242.62
9	A"	330	317	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.592	-0.085	0.000
H2	-1.477	0.551	0.000
Cl3	0.922	0.960	0.000
F4	-0.592	-0.909	1.129
F5	-0.592	-0.909	-1.129

	C1	H2	Cl3	F4	F5
C1		1.0896	1.8394	1.3978	1.3978
H2	1.0896		2.4333	2.0467	2.0467
Cl3	1.8394	2.4333		2.6570	2.6570
F4	1.3978	2.0467	2.6570		2.2579
F5	1.3978	2.0467	2.6570	2.2579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.686	H2	C1	F4	110.121
H2	C1	Cl5	110.121	F3	C1	F4	109.573
F3	C1	Cl5	109.573	F4	C1	Cl5	107.738

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/LANL2DZ

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	0.097
2	H	0.269
3	Cl	0.002
4	F	-0.184
5	F	-0.184

	x	y	z	Total
	-1.448	1.460	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	3.280	1.285	0.000
y	1.285	2.836	0.000
z	0.000	0.000	2.127

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)