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	hartrees
Energy at 0K	-1058.380560
Energy at 298.15K	-1058.382406
HF Energy	-1058.380560
Nuclear repulsion energy	208.349354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3035	9.16
2	A'	1306	1284	23.25
3	A'	1108	1090	186.62
4	A'	710	699	49.38
5	A'	440	433	2.60
6	A'	266	262	0.16
7	A"	1237	1217	62.09
8	A"	736	723	290.71
9	A"	351	345	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.178	0.530	0.000
H2	-1.096	1.132	0.000
F3	0.912	1.328	0.000
Cl4	-0.178	-0.478	1.486
Cl5	-0.178	-0.478	-1.486

	C1	H2	F3	Cl4	Cl5
C1		1.0984	1.3506	1.7953	1.7953
H2	1.0984		2.0175	2.3757	2.3757
F3	1.3506	2.0175		2.5799	2.5799
Cl4	1.7953	2.3757	2.5799		2.9713
Cl5	1.7953	2.3757	2.5799	2.9713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.512	H2	C1	Cl4	107.938
H2	C1	Cl5	107.938	F3	C1	Cl4	109.373
F3	C1	Cl5	109.373	Cl4	C1	Cl5	111.693

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBEultrafine/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	-0.085
2	H	0.240
3	F	-0.182
4	Cl	0.014
5	Cl	0.014

	x	y	z	Total
	-1.009	0.896	0.000	1.350
CHELPG
AIM
ESP

	x	y	z
x	3.266	0.173	-0.003
y	0.173	4.265	-0.003
z	-0.003	-0.003	6.577

<r²>	133.901
(<r²>)^1/2	11.572

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)