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	hartrees
Energy at 0K	-598.994100
Energy at 298.15K	-598.996713
Nuclear repulsion energy	100.504959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2993	2963	24.55
2	A'	1458	1443	0.75
3	A'	1321	1308	37.86
4	A'	1101	1090	148.30
5	A'	712	705	93.50
6	A'	368	364	1.04
7	A"	3067	3036	14.56
8	A"	1212	1200	2.23
9	A"	975	965	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.816	0.000
F2	1.354	0.782	0.000
Cl3	-0.673	-0.856	0.000
H4	-0.370	1.306	0.914
H5	-0.370	1.306	-0.914

	C1	F2	Cl3	H4	H5
C1		1.3540	1.8018	1.1010	1.1010
F2	1.3540		2.6059	2.0199	2.0199
Cl3	1.8018	2.6059		2.3666	2.3666
H4	1.1010	2.0199	2.3666		1.8271
H5	1.1010	2.0199	2.3666	1.8271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.526	F2	C1	H4	110.299
F2	C1	H5	110.299	Cl3	C1	H4	106.726
Cl3	C1	H5	106.726	H4	C1	H5	112.149

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBE/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	-0.099
2	F	-0.069
3	Cl	-0.149
4	H	0.159
5	H	0.159

	x	y	z	Total
	-0.589	1.646	0.000	1.749
CHELPG
AIM
ESP

	x	y	z
x	3.541	0.670	0.000
y	0.670	4.507	0.000
z	0.000	0.000	3.105

<r²>	66.236
(<r²>)^1/2	8.139

All results from a given calculation for CH2FCl (fluorochloromethane)

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

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)