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	hartrees
Energy at 0K	-69.561762
Energy at 298.15K	-69.563941
Nuclear repulsion energy	69.053547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3045	26.09
2	A'	1326	1285	92.91
3	A'	1103	1069	244.65
4	A'	788	764	161.39
5	A'	581	563	7.01
6	A'	397	385	0.13
7	A"	1374	1332	25.59
8	A"	1125	1091	249.92
9	A"	352	342	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-0.091	0.000
H2	-1.465	0.546	0.000
Cl3	0.900	0.939	0.000
F4	-0.576	-0.887	1.098
F5	-0.576	-0.887	-1.098

	C1	H2	Cl3	F4	F5
C1		1.0933	1.7998	1.3565	1.3565
H2	1.0933		2.3970	2.0123	2.0123
Cl3	1.7998	2.3970		2.5922	2.5922
F4	1.3565	2.0123	2.5922		2.1964
F5	1.3565	2.0123	2.5922	2.1964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.462	H2	C1	F4	109.996
H2	C1	Cl5	109.996	F3	C1	F4	109.628
F3	C1	Cl5	109.628	F4	C1	Cl5	108.111

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/CEP-121G*

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	0.263
2	H	0.181
3	Cl	-0.079
4	F	-0.182
5	F	-0.182

	x	y	z	Total
	-1.201	0.986	0.000	1.554
CHELPG
AIM
ESP

	x	y	z
x	4.067	0.954	0.000
y	0.954	3.679	0.000
z	0.000	0.000	3.014

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)