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	hartrees
Energy at 0K	-690.184276
Energy at 298.15K	-690.186190
Nuclear repulsion energy	159.247512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2852	10.30
2	A'	1294	1155	82.58
3	A'	1174	1047	85.26
4	A'	744	664	98.46
5	A'	554	495	12.10
6	A'	374	333	0.86
7	A"	1446	1291	60.25
8	A"	1234	1101	51.82
9	A"	318	284	3.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.619	-0.123	0.000
H2	-1.476	0.616	0.000
Cl3	0.961	0.974	0.000
F4	-0.619	-0.913	1.131
F5	-0.619	-0.913	-1.131

	C1	H2	Cl3	F4	F5
C1		1.1315	1.9228	1.3800	1.3800
H2	1.1315		2.4626	2.0863	2.0863
Cl3	1.9228	2.4626		2.7084	2.7084
F4	1.3800	2.0863	2.7084		2.2621
F5	1.3800	2.0863	2.7084	2.2621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	104.461	H2	C1	F4	111.969
H2	C1	Cl5	111.969	F3	C1	F4	109.067
F3	C1	Cl5	109.067	F4	C1	Cl5	110.098

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/STO-3G

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	0.189
2	H	0.110
3	Cl	-0.206
4	F	-0.046
5	F	-0.046

	x	y	z	Total
	-2.204	-0.795	0.000	2.343
CHELPG
AIM
ESP

	x	y	z
x	2.189	1.023	0.000
y	1.023	1.890	0.000
z	0.000	0.000	1.309

<r²>	97.810
(<r²>)^1/2	9.890

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)