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	hartrees
Energy at 0K	-694.715066
Energy at 298.15K	-694.717136
HF Energy	-694.715066
Nuclear repulsion energy	162.217448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3087	21.28
2	A'	1314	1266	80.80
3	A'	1133	1092	204.52
4	A'	706	680	176.39
5	A'	560	540	20.03
6	A'	352	339	3.85
7	A"	1422	1370	47.04
8	A"	1229	1184	148.67
9	A"	320	308	3.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.623	-0.106	0.000
H2	-1.432	0.617	0.000
Cl3	0.963	0.934	0.000
F4	-0.623	-0.881	1.113
F5	-0.623	-0.881	-1.113

	C1	H2	Cl3	F4	F5
C1		1.0852	1.8960	1.3560	1.3560
H2	1.0852		2.4165	2.0337	2.0337
Cl3	1.8960	2.4165		2.6541	2.6541
F4	1.3560	2.0337	2.6541		2.2254
F5	1.3560	2.0337	2.6541	2.2254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	105.030	H2	C1	F4	112.361
H2	C1	Cl5	112.361	F3	C1	F4	108.255
F3	C1	Cl5	108.255	F4	C1	Cl5	110.288

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HSEh1PBE/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	0.249
2	H	0.280
3	Cl	-0.024
4	F	-0.252
5	F	-0.252

	x	y	z	Total
	-2.028	0.463	0.000	2.080
CHELPG
AIM
ESP

	x	y	z
x	3.513	1.250	0.000
y	1.250	2.786	0.000
z	0.000	0.000	2.055

<r²>	96.609
(<r²>)^1/2	9.829

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)