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	hartrees
Energy at 0K	-1058.397818
Energy at 298.15K	-1058.399668
Nuclear repulsion energy	208.401146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3090	3055	2.56
2	A'	1275	1260	13.08
3	A'	1035	1024	217.66
4	A'	708	700	50.28
5	A'	440	435	1.39
6	A'	268	265	0.02
7	A"	1221	1207	56.34
8	A"	745	737	291.61
9	A"	350	346	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.181	0.520	0.000
H2	-1.083	1.146	0.000
F3	0.924	1.324	0.000
Cl4	-0.181	-0.476	1.484
Cl5	-0.181	-0.476	-1.484

	C1	H2	F3	Cl4	Cl5
C1		1.0979	1.3664	1.7873	1.7873
H2	1.0979		2.0152	2.3763	2.3763
F3	1.3664	2.0152		2.5811	2.5811
Cl4	1.7873	2.3763	2.5811		2.9680
Cl5	1.7873	2.3763	2.5811	2.9680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.231	H2	C1	Cl4	108.524
H2	C1	Cl5	108.524	F3	C1	Cl4	109.127
F3	C1	Cl5	109.127	Cl4	C1	Cl5	112.263

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBE/6-31+G**

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	-0.278
2	H	0.247
3	F	-0.146
4	Cl	0.089
5	Cl	0.089

	x	y	z	Total
	-1.234	0.587	0.000	1.367
CHELPG
AIM
ESP

	x	y	z
x	4.453	0.228	0.000
y	0.228	5.289	0.000
z	0.000	0.000	7.498

<r²>	134.266
(<r²>)^1/2	11.587

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)