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	hartrees
Energy at 0K	-1058.821768
Energy at 298.15K	-1058.823710
Nuclear repulsion energy	210.004609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3044	6.02
2	A'	1319	1272	20.27
3	A'	1130	1090	212.08
4	A'	731	706	46.60
5	A'	457	441	1.81
6	A'	275	266	0.14
7	A"	1231	1188	58.13
8	A"	786	758	270.13
9	A"	366	353	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.176	0.525	0.000
H2	-1.091	1.129	0.000
F3	0.905	1.321	0.000
Cl4	-0.176	-0.476	1.472
Cl5	-0.176	-0.476	-1.472

	C1	H2	F3	Cl4	Cl5
C1		1.0964	1.3433	1.7792	1.7792
H2	1.0964		2.0053	2.3616	2.3616
F3	1.3433	2.0053		2.5620	2.5620
Cl4	1.7792	2.3616	2.5620		2.9430
Cl5	1.7792	2.3616	2.5620	2.9430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.146	H2	C1	Cl4	108.059
H2	C1	Cl5	108.059	F3	C1	Cl4	109.478
F3	C1	Cl5	109.478	Cl4	C1	Cl5	111.597

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3PW91/cc-pVDZ

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	0.116
2	H	0.130
3	F	-0.145
4	Cl	-0.051
5	Cl	-0.051

	x	y	z	Total
	-1.113	0.712	0.000	1.321
CHELPG
AIM
ESP

	x	y	z
x	3.046	0.150	0.000
y	0.150	4.073	0.000
z	0.000	0.000	6.231

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)