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	hartrees
Energy at 0K	-1058.922837
Energy at 298.15K	-1058.924743
Nuclear repulsion energy	209.052862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3041	8.54
2	A'	1357	1300	25.61
3	A'	1134	1086	189.96
4	A'	728	697	49.02
5	A'	450	431	2.47
6	A'	274	262	0.21
7	A"	1284	1231	71.30
8	A"	768	735	277.20
9	A"	361	346	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.178	0.527	0.000
H2	-1.083	1.131	0.000
F3	0.910	1.319	0.000
Cl4	-0.178	-0.476	1.482
Cl5	-0.178	-0.476	-1.482

	C1	H2	F3	Cl4	Cl5
C1		1.0883	1.3456	1.7897	1.7897
H2	1.0883		2.0022	2.3661	2.3661
F3	1.3456	2.0022		2.5695	2.5695
Cl4	1.7897	2.3661	2.5695		2.9650
Cl5	1.7897	2.3661	2.5695	2.9650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.246	H2	C1	Cl4	108.107
H2	C1	Cl5	108.107	F3	C1	Cl4	109.255
F3	C1	Cl5	109.255	Cl4	C1	Cl5	111.855

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYPultrafine/6-31G*

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	-0.009
2	H	0.230
3	F	-0.222
4	Cl	0.001
5	Cl	0.001

	x	y	z	Total
	-1.115	0.829	0.000	1.390
CHELPG
AIM
ESP

	x	y	z
x	3.183	0.143	0.000
y	0.143	4.131	0.000
z	0.000	0.000	6.362

<r²>	133.272
(<r²>)^1/2	11.544

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)