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	hartrees
Energy at 0K	-599.423059
Energy at 298.15K	-599.425700
HF Energy	-599.423059
Nuclear repulsion energy	100.351820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	2986	23.58
2	A'	1504	1452	0.42
3	A'	1380	1332	45.55
4	A'	1070	1033	189.05
5	A'	725	700	108.60
6	A'	377	364	1.25
7	A"	3172	3062	10.33
8	A"	1255	1212	2.65
9	A"	1003	968	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.815	0.000
F2	1.364	0.776	0.000
Cl3	-0.682	-0.852	0.000
H4	-0.344	1.308	0.906
H5	-0.344	1.308	-0.906

	C1	F2	Cl3	H4	H5
C1		1.3646	1.8018	1.0869	1.0869
F2	1.3646		2.6146	2.0053	2.0053
Cl3	1.8018	2.6146		2.3665	2.3665
H4	1.0869	2.0053	2.3665		1.8117
H5	1.0869	2.0053	2.3665	1.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.573	F2	C1	H4	109.247
F2	C1	H5	109.247	Cl3	C1	H4	107.422
Cl3	C1	H5	107.422	H4	C1	H5	112.907

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3LYP/TZVP

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	0.025
2	F	-0.203
3	Cl	-0.111
4	H	0.145
5	H	0.145

	x	y	z	Total
	-1.091	1.679	0.000	2.002
CHELPG
AIM
ESP

	x	y	z
x	3.295	0.747	0.000
y	0.747	4.363	0.000
z	0.000	0.000	2.749

<r²>	66.838
(<r²>)^1/2	8.175

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)