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	hartrees
Energy at 0K	-599.363580
Energy at 298.15K	-599.366180
HF Energy	-599.363580
Nuclear repulsion energy	99.841067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3028	2984	28.77
2	A'	1470	1449	0.41
3	A'	1345	1326	43.36
4	A'	1032	1017	189.68
5	A'	689	679	116.90
6	A'	367	362	1.17
7	A"	3108	3063	15.64
8	A"	1225	1207	2.30
9	A"	982	968	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.818	0.000
F2	1.370	0.786	0.000
Cl3	-0.684	-0.859	0.000
H4	-0.349	1.308	0.912
H5	-0.349	1.308	-0.912

	C1	F2	Cl3	H4	H5
C1		1.3704	1.8104	1.0924	1.0924
F2	1.3704		2.6316	2.0148	2.0148
Cl3	1.8104	2.6316		2.3741	2.3741
H4	1.0924	2.0148	2.3741		1.8232
H5	1.0924	2.0148	2.3741	1.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.888	F2	C1	H4	109.268
F2	C1	H5	109.268	Cl3	C1	H4	107.133
Cl3	C1	H5	107.133	H4	C1	H5	113.132

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B97D3/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	0.018
2	F	-0.183
3	Cl	-0.117
4	H	0.141
5	H	0.141

	x	y	z	Total
	-1.005	1.667	0.000	1.946
CHELPG
AIM
ESP

	x	y	z
x	3.389	0.787	0.000
y	0.787	4.453	0.000
z	0.000	0.000	2.791

<r²>	67.293
(<r²>)^1/2	8.203

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)