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	hartrees
Energy at 0K	-598.980456
Energy at 298.15K	-598.983065
HF Energy	-598.980456
Nuclear repulsion energy	100.071933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3016	2967	30.02
2	A'	1485	1461	0.71
3	A'	1352	1330	49.65
4	A'	1098	1080	156.79
5	A'	710	698	102.44
6	A'	367	361	1.41
7	A"	3088	3037	20.85
8	A"	1224	1204	1.86
9	A"	995	978	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.817	0.000
F2	1.364	0.782	0.000
Cl3	-0.679	-0.857	0.000
H4	-0.365	1.313	0.913
H5	-0.365	1.313	-0.913

	C1	F2	Cl3	H4	H5
C1		1.3640	1.8066	1.1013	1.1013
F2	1.3640		2.6192	2.0253	2.0253
Cl3	1.8066	2.6192		2.3754	2.3754
H4	1.1013	2.0253	2.3754		1.8265
H5	1.1013	2.0253	2.3754	1.8265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.620	F2	C1	H4	110.018
F2	C1	H5	110.018	Cl3	C1	H4	107.034
Cl3	C1	H5	107.034	H4	C1	H5	112.042

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBEultrafine/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	-0.116
2	F	-0.223
3	Cl	-0.060
4	H	0.199
5	H	0.199

	x	y	z	Total
	-0.682	1.728	0.000	1.858
CHELPG
AIM
ESP

	x	y	z
x	3.008	0.754	-0.001
y	0.754	4.128	-0.005
z	-0.001	-0.005	2.548

<r²>	66.758
(<r²>)^1/2	8.171

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)