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	hartrees
Energy at 0K	-69.478632
Energy at 298.15K	-69.480670
Nuclear repulsion energy	66.980282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3095	21.31
2	A'	1282	1241	69.56
3	A'	1017	985	219.78
4	A'	742	719	147.38
5	A'	529	512	11.29
6	A'	370	358	0.78
7	A"	1316	1274	13.36
8	A"	1042	1009	232.84
9	A"	329	318	1.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.594	-0.086	0.000
H2	-1.491	0.547	0.000
Cl3	0.927	0.967	0.000
F4	-0.594	-0.915	1.134
F5	-0.594	-0.915	-1.134

	C1	H2	Cl3	F4	F5
C1		1.0973	1.8497	1.4051	1.4051
H2	1.0973		2.4538	2.0562	2.0562
Cl3	1.8497	2.4538		2.6727	2.6727
F4	1.4051	2.0562	2.6727		2.2677
F5	1.4051	2.0562	2.6727	2.2677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.109	H2	C1	F4	109.902
H2	C1	Cl5	109.902	F3	C1	F4	109.643
F3	C1	Cl5	109.643	F4	C1	Cl5	107.602

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/CEP-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	-0.049
2	H	0.264
3	Cl	0.047
4	F	-0.131
5	F	-0.131

	x	y	z	Total
	-1.447	1.552	0.000	2.122
CHELPG
AIM
ESP

	x	y	z
x	3.571	1.473	0.000
y	1.473	3.041	0.000
z	0.000	0.000	2.243

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)