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	hartrees
Energy at 0K	-596.433598
Energy at 298.15K	-596.436222
HF Energy	-596.433598
Nuclear repulsion energy	99.628781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2977	20.20
2	A'	1574	1492	0.12
3	A'	1422	1348	31.57
4	A'	1101	1043	107.66
5	A'	711	674	100.27
6	A'	360	341	1.96
7	A"	3213	3045	13.64
8	A"	1274	1207	0.56
9	A"	1037	983	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.812	0.000
F2	1.385	0.777	0.000
Cl3	-0.688	-0.851	0.000
H4	-0.384	1.302	0.895
H5	-0.384	1.302	-0.895

	C1	F2	Cl3	H4	H5
C1		1.3852	1.7992	1.0905	1.0905
F2	1.3852		2.6353	2.0505	2.0505
Cl3	1.7992	2.6353		2.3514	2.3514
H4	1.0905	2.0505	2.3514		1.7905
H5	1.0905	2.0505	2.3514	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	111.035	F2	C1	H4	111.287
F2	C1	H5	111.287	Cl3	C1	H4	106.319
Cl3	C1	H5	106.319	H4	C1	H5	110.368

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: wB97X-D/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	-0.178
2	F	-0.283
3	Cl	-0.056
4	H	0.259
5	H	0.259

	x	y	z	Total
	-1.072	1.873	0.000	2.158
CHELPG
AIM
ESP

	x	y	z
x	2.698	0.738	0.000
y	0.738	3.712	0.000
z	0.000	0.000	2.191

<r²>	67.261
(<r²>)^1/2	8.201

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)