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	hartrees
Energy at 0K	-1056.967480
Energy at 298.15K	-1056.969592
HF Energy	-1056.967480
Nuclear repulsion energy	212.670436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3016	1.71
2	A'	1474	1333	19.97
3	A'	1237	1119	200.39
4	A'	795	719	43.30
5	A'	496	449	1.56
6	A'	297	269	0.12
7	A"	1384	1252	71.14
8	A"	886	802	248.89
9	A"	402	364	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.521	0.000
H2	-1.062	1.123	0.000
F3	0.894	1.297	0.000
Cl4	-0.175	-0.468	1.457
Cl5	-0.175	-0.468	-1.457

	C1	H2	F3	Cl4	Cl5
C1		1.0720	1.3202	1.7608	1.7608
H2	1.0720		1.9629	2.3325	2.3325
F3	1.3202	1.9629		2.5254	2.5254
Cl4	1.7608	2.3325	2.5254		2.9134
Cl5	1.7608	2.3325	2.5254	2.9134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.848	H2	C1	Cl4	108.388
H2	C1	Cl5	108.388	F3	C1	Cl4	109.275
F3	C1	Cl5	109.275	Cl4	C1	Cl5	111.646

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: HF/daug-cc-pVTZ

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	1.032
2	H	0.565
3	F	-0.702
4	Cl	-0.448
5	Cl	-0.448

	x	y	z	Total
	-1.233	0.646	0.000	1.392
CHELPG
AIM
ESP

	x	y	z
x	5.090	0.125	0.000
y	0.125	5.648	0.000
z	0.000	0.000	7.514

<r²>	129.815
(<r²>)^1/2	11.394

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)