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	hartrees
Energy at 0K	-596.093951
Energy at 298.15K	-596.096514
HF Energy	-596.093951
Nuclear repulsion energy	97.517303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3030	14.59
2	A'	1558	1501	0.12
3	A'	1379	1328	38.96
4	A'	1138	1097	130.82
5	A'	651	627	103.79
6	A'	332	319	3.40
7	A"	3234	3116	11.52
8	A"	1255	1209	1.19
9	A"	996	960	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
F2	1.375	0.838	0.000
Cl3	-0.681	-0.904	0.000
H4	-0.398	1.311	0.909
H5	-0.398	1.311	-0.909

	C1	F2	Cl3	H4	H5
C1		1.3754	1.8973	1.0872	1.0872
F2	1.3754		2.6946	2.0482	2.0482
Cl3	1.8973	2.6946		2.4109	2.4109
H4	1.0872	2.0482	2.4109		1.8178
H5	1.0872	2.0482	2.4109	1.8178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	109.814	F2	C1	H4	112.024
F2	C1	H5	112.024	Cl3	C1	H4	104.465
Cl3	C1	H5	104.465	H4	C1	H5	113.440

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: HSEh1PBE/3-21G

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	-0.234
2	F	-0.259
3	Cl	-0.052
4	H	0.273
5	H	0.273

	x	y	z	Total
	-0.795	2.377	0.000	2.507
CHELPG
AIM
ESP

	x	y	z
x	2.488	0.976	0.000
y	0.976	4.003	0.000
z	0.000	0.000	1.873

<r²>	70.136
(<r²>)^1/2	8.375

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)