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	hartrees
Energy at 0K	-696.922852
Energy at 298.15K	-696.925256
Nuclear repulsion energy	170.373773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	3013	14.12
2	A'	1466	1332	89.78
3	A'	1246	1132	262.26
4	A'	882	801	167.96
5	A'	659	599	8.17
6	A'	453	412	0.44
7	A"	1523	1383	22.50
8	A"	1287	1169	237.68
9	A"	400	364	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.562	-0.092	0.000
H2	-1.432	0.540	0.000
Cl3	0.878	0.913	0.000
F4	-0.562	-0.861	1.062
F5	-0.562	-0.861	-1.062

	C1	H2	Cl3	F4	F5
C1		1.0753	1.7566	1.3116	1.3116
H2	1.0753		2.3402	1.9618	1.9618
Cl3	1.7566	2.3402		2.5204	2.5204
F4	1.3116	1.9618	2.5204		2.1249
F5	1.3116	1.9618	2.5204	2.1249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.078	H2	C1	F4	110.165
H2	C1	Cl5	110.165	F3	C1	F4	109.611
F3	C1	Cl5	109.611	F4	C1	Cl5	108.199

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/6-311+G(3df,2p)

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	0.895
2	H	0.160
3	Cl	-0.247
4	F	-0.404
5	F	-0.404

	x	y	z	Total
	-1.200	1.016	0.000	1.572
CHELPG
AIM
ESP

	x	y	z
x	4.390	0.627	0.000
y	0.627	4.138	0.000
z	0.000	0.000	3.753

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)