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	hartrees
Energy at 0K	-599.024319
Energy at 298.15K	-599.026994
HF Energy	-599.024319
Nuclear repulsion energy	101.311836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	2967	28.45
2	A'	1538	1461	0.59
3	A'	1411	1341	54.70
4	A'	1156	1099	162.95
5	A'	766	727	100.03
6	A'	388	369	1.48
7	A"	3199	3040	16.74
8	A"	1276	1213	2.32
9	A"	1035	984	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.806	0.000
F2	1.350	0.763	0.000
Cl3	-0.673	-0.842	0.000
H4	-0.353	1.306	0.904
H5	-0.353	1.306	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3512	1.7806	1.0918	1.0918
F2	1.3512		2.5834	2.0036	2.0036
Cl3	1.7806	2.5834		2.3529	2.3529
H4	1.0918	2.0036	2.3529		1.8080
H5	1.0918	2.0036	2.3529	1.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.404	F2	C1	H4	109.746
F2	C1	H5	109.746	Cl3	C1	H4	107.561
Cl3	C1	H5	107.561	H4	C1	H5	111.780

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBE1PBE/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	-0.107
2	F	-0.260
3	Cl	-0.056
4	H	0.212
5	H	0.212

	x	y	z	Total
	-0.816	1.735	0.000	1.917
CHELPG
AIM
ESP

	x	y	z
x	2.858	0.687	0.000
y	0.687	3.962	0.000
z	0.000	0.000	2.484

<r²>	65.423
(<r²>)^1/2	8.088

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)