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	hartrees
Energy at 0K	-599.345481
Energy at 298.15K	-599.348126
Nuclear repulsion energy	100.844056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	2968	23.89
2	A'	1511	1458	0.74
3	A'	1375	1326	45.04
4	A'	1128	1089	154.44
5	A'	725	700	97.10
6	A'	377	364	1.09
7	A"	3151	3041	13.29
8	A"	1257	1213	2.95
9	A"	1007	972	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.816	0.000
F2	1.347	0.780	0.000
Cl3	-0.670	-0.855	0.000
H4	-0.364	1.304	0.906
H5	-0.364	1.304	-0.906

	C1	F2	Cl3	H4	H5
C1		1.3477	1.8004	1.0912	1.0912
F2	1.3477		2.5967	2.0055	2.0055
Cl3	1.8004	2.5967		2.3611	2.3611
H4	1.0912	2.0055	2.3611		1.8116
H5	1.0912	2.0055	2.3611	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.324	F2	C1	H4	110.188
F2	C1	H5	110.188	Cl3	C1	H4	106.910
Cl3	C1	H5	106.910	H4	C1	H5	112.217

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3LYP/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	-0.042
2	F	-0.101
3	Cl	-0.163
4	H	0.153
5	H	0.153

	x	y	z	Total
	-0.695	1.687	0.000	1.825
CHELPG
AIM
ESP

	x	y	z
x	3.429	0.645	0.000
y	0.645	4.411	0.000
z	0.000	0.000	3.030

<r²>	65.943
(<r²>)^1/2	8.121

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)