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	hartrees
Energy at 0K	-1058.882052
Energy at 298.15K	-1058.883803
Nuclear repulsion energy	202.613033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3106	8.52
2	A'	1293	1243	14.29
3	A'	1010	971	202.39
4	A'	673	647	50.24
5	A'	411	395	3.02
6	A'	256	246	0.43
7	A"	1233	1185	49.59
8	A"	724	696	240.62
9	A"	332	319	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	0.542	0.000
H2	-1.082	1.160	0.000
F3	0.954	1.360	0.000
Cl4	-0.187	-0.490	1.528
Cl5	-0.187	-0.490	-1.528

	C1	H2	F3	Cl4	Cl5
C1		1.0870	1.4034	1.8437	1.8437
H2	1.0870		2.0454	2.4198	2.4198
F3	1.4034	2.0454		2.6563	2.6563
Cl4	1.8437	2.4198	2.6563		3.0554
Cl5	1.8437	2.4198	2.6563	3.0554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.776	H2	C1	Cl4	108.544
H2	C1	Cl5	108.544	F3	C1	Cl4	109.024
F3	C1	Cl5	109.024	Cl4	C1	Cl5	111.910

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/SDD

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	-0.235
2	H	0.309
3	F	-0.170
4	Cl	0.048
5	Cl	0.048

	x	y	z	Total
	-1.690	0.628	0.000	1.803
CHELPG
AIM
ESP

	x	y	z
x	2.305	0.294	0.000
y	0.294	3.634	0.000
z	0.000	0.000	6.129

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)