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	hartrees
Energy at 0K	-696.938130
Energy at 298.15K	-696.940516
HF Energy	-696.938130
Nuclear repulsion energy	169.933561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3003	14.06
2	A'	1462	1322	90.54
3	A'	1243	1125	263.75
4	A'	873	790	168.39
5	A'	658	595	8.54
6	A'	449	406	0.31
7	A"	1518	1373	24.54
8	A"	1285	1163	238.50
9	A"	397	359	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.565	-0.093	0.000
H2	-1.433	0.540	0.000
Cl3	0.881	0.916	0.000
F4	-0.565	-0.864	1.064
F5	-0.565	-0.864	-1.064

	C1	H2	Cl3	F4	F5
C1		1.0747	1.7634	1.3140	1.3140
H2	1.0747		2.3445	1.9641	1.9641
Cl3	1.7634	2.3445		2.5281	2.5281
F4	1.3140	1.9641	2.5281		2.1286
F5	1.3140	1.9641	2.5281	2.1286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.969	H2	C1	F4	110.225
H2	C1	Cl5	110.225	F3	C1	F4	109.609
F3	C1	Cl5	109.609	F4	C1	Cl5	108.192

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/daug-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	1.318
2	H	0.601
3	Cl	-0.504
4	F	-0.707
5	F	-0.707

	x	y	z	Total
	-1.239	0.975	0.000	1.577
CHELPG
AIM
ESP

	x	y	z
x	4.520	0.625	0.000
y	0.625	4.268	0.000
z	0.000	0.000	3.875

<r²>	89.211
(<r²>)^1/2	9.445

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)