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	hartrees
Energy at 0K	-696.889243
Energy at 298.15K	-696.891646
Nuclear repulsion energy	169.866947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3360	3052	27.21
2	A'	1477	1342	125.21
3	A'	1245	1131	303.25
4	A'	884	804	182.84
5	A'	655	595	11.07
6	A'	452	411	0.47
7	A"	1534	1393	44.04
8	A"	1293	1175	268.31
9	A"	402	365	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.564	-0.093	0.000
H2	-1.433	0.538	0.000
Cl3	0.880	0.916	0.000
F4	-0.564	-0.864	1.067
F5	-0.564	-0.864	-1.067

	C1	H2	Cl3	F4	F5
C1		1.0742	1.7612	1.3161	1.3161
H2	1.0742		2.3438	1.9644	1.9644
Cl3	1.7612	2.3438		2.5278	2.5278
F4	1.3161	1.9644	2.5278		2.1333
F5	1.3161	1.9644	2.5278	2.1333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.090	H2	C1	F4	110.123
H2	C1	Cl5	110.123	F3	C1	F4	109.605
F3	C1	Cl5	109.605	F4	C1	Cl5	108.281

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/6-311G**

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	0.508
2	H	0.124
3	Cl	-0.119
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	-1.395	1.030	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	3.454	0.925	0.000
y	0.925	2.948	0.000
z	0.000	0.000	2.308

<r²>	89.358
(<r²>)^1/2	9.453

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)