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	hartrees
Energy at 0K	-698.355570
Energy at 298.15K	-698.357823
HF Energy	-698.355570
Nuclear repulsion energy	168.210253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3019	16.71
2	A'	1327	1275	62.84
3	A'	1138	1094	229.89
4	A'	807	776	159.39
5	A'	606	582	6.86
6	A'	413	397	0.12
7	A"	1379	1325	17.24
8	A"	1165	1120	230.18
9	A"	367	353	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.565	-0.092	0.000
H2	-1.445	0.549	0.000
Cl3	0.883	0.925	0.000
F4	-0.565	-0.873	1.082
F5	-0.565	-0.873	-1.082

	C1	H2	Cl3	F4	F5
C1		1.0887	1.7696	1.3337	1.3337
H2	1.0887		2.3581	1.9912	1.9912
Cl3	1.7696	2.3581		2.5490	2.5490
F4	1.3337	1.9912	2.5490		2.1631
F5	1.3337	1.9912	2.5490	2.1631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.837	H2	C1	F4	110.157
H2	C1	Cl5	110.157	F3	C1	F4	109.651
F3	C1	Cl5	109.651	F4	C1	Cl5	108.379

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HSEh1PBE/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	0.353
2	H	0.061
3	Cl	-0.123
4	F	-0.145
5	F	-0.145

	x	y	z	Total
	-1.149	0.817	0.000	1.409
CHELPG
AIM
ESP

	x	y	z
x	4.159	0.859	0.000
y	0.859	3.818	0.000
z	0.000	0.000	3.267

<r²>	90.325
(<r²>)^1/2	9.504

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)