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	hartrees
Energy at 0K	-698.591422
Energy at 298.15K	-698.593632
Nuclear repulsion energy	167.293088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3006	22.32
2	A'	1318	1272	74.40
3	A'	1141	1101	207.24
4	A'	774	747	158.24
5	A'	601	580	8.70
6	A'	400	386	0.85
7	A"	1395	1346	25.27
8	A"	1180	1139	193.02
9	A"	358	345	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	-0.098	0.000
H2	-1.445	0.566	0.000
Cl3	0.901	0.924	0.000
F4	-0.578	-0.871	1.083
F5	-0.578	-0.871	-1.083

	C1	H2	Cl3	F4	F5
C1		1.0919	1.7985	1.3310	1.3310
H2	1.0919		2.3735	1.9977	1.9977
Cl3	1.7985	2.3735		2.5665	2.5665
F4	1.3310	1.9977	2.5665		2.1667
F5	1.3310	1.9977	2.5665	2.1667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.896	H2	C1	F4	110.692
H2	C1	Cl5	110.692	F3	C1	F4	109.281
F3	C1	Cl5	109.281	F4	C1	Cl5	108.970

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/6-31G(2df,p)

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	0.145
2	H	0.139
3	Cl	-0.158
4	F	-0.063
5	F	-0.063

	x	y	z	Total
	-1.304	0.534	0.000	1.409
CHELPG
AIM
ESP

	x	y	z
x	4.216	0.835	0.000
y	0.835	3.814	0.000
z	0.000	0.000	3.266

<r²>	91.086
(<r²>)^1/2	9.544

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)