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	hartrees
Energy at 0K	-696.796901
Energy at 298.15K	-696.799284
HF Energy	-696.796901
Nuclear repulsion energy	169.688507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3400	3055	32.09
2	A'	1497	1345	128.41
3	A'	1256	1129	270.24
4	A'	893	803	173.32
5	A'	647	581	10.88
6	A'	449	404	0.58
7	A"	1550	1393	53.28
8	A"	1311	1178	229.92
9	A"	399	359	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.564	-0.090	0.000
H2	-1.433	0.540	0.000
Cl3	0.880	0.914	0.000
F4	-0.564	-0.863	1.070
F5	-0.564	-0.863	-1.070

	C1	H2	Cl3	F4	F5
C1		1.0731	1.7588	1.3205	1.3205
H2	1.0731		2.3432	1.9671	1.9671
Cl3	1.7588	2.3432		2.5278	2.5278
F4	1.3205	1.9671	2.5278		2.1408
F5	1.3205	1.9671	2.5278	2.1408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.268	H2	C1	F4	110.103
H2	C1	Cl5	110.103	F3	C1	F4	109.523
F3	C1	Cl5	109.523	F4	C1	Cl5	108.304

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/6-31G*

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	0.501
2	H	0.203
3	Cl	-0.047
4	F	-0.328
5	F	-0.328

	x	y	z	Total
	-1.350	0.946	0.000	1.648
CHELPG
AIM
ESP

	x	y	z
x	3.482	0.798	-0.003
y	0.798	2.997	-0.002
z	-0.003	-0.002	2.434

<r²>	89.183
(<r²>)^1/2	9.444

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)