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	hartrees
Energy at 0K	-599.086221
Energy at 298.15K	-599.088827
Nuclear repulsion energy	100.331619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3005	2985	19.83
2	A'	1439	1430	0.44
3	A'	1311	1302	22.74
4	A'	1031	1025	167.64
5	A'	714	710	101.33
6	A'	367	365	0.84
7	A"	3079	3059	5.60
8	A"	1202	1194	1.87
9	A"	970	964	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.811	0.000
F2	1.373	0.763	0.000
Cl3	-0.687	-0.844	0.000
H4	-0.342	1.310	0.914
H5	-0.342	1.310	-0.914

	C1	F2	Cl3	H4	H5
C1		1.3736	1.7921	1.0959	1.0959
F2	1.3736		2.6119	2.0186	2.0186
Cl3	1.7921	2.6119		2.3650	2.3650
H4	1.0959	2.0186	2.3650		1.8283
H5	1.0959	2.0186	2.3650	1.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.500	F2	C1	H4	109.139
F2	C1	H5	109.139	Cl3	C1	H4	107.493
Cl3	C1	H5	107.493	H4	C1	H5	113.057

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	0.008
2	F	-0.328
3	Cl	-0.154
4	H	0.237
5	H	0.237

	x	y	z	Total
	-0.905	1.519	0.000	1.768
CHELPG
AIM
ESP

	x	y	z
x	4.746	0.657	0.000
y	0.657	5.422	0.000
z	0.000	0.000	4.093

<r²>	66.778
(<r²>)^1/2	8.172

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)