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	hartrees
Energy at 0K	-1058.906101
Energy at 298.15K	-1058.908067
Nuclear repulsion energy	210.838752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3036	7.75
2	A'	1368	1297	25.65
3	A'	1164	1104	190.79
4	A'	751	713	48.15
5	A'	464	440	2.28
6	A'	281	267	0.27
7	A"	1302	1235	69.12
8	A"	807	765	274.96
9	A"	371	352	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.521	0.000
H2	-1.079	1.128	0.000
F3	0.906	1.309	0.000
Cl4	-0.177	-0.472	1.468
Cl5	-0.177	-0.472	-1.468

	C1	H2	F3	Cl4	Cl5
C1		1.0875	1.3393	1.7719	1.7719
H2	1.0875		1.9936	2.3510	2.3510
F3	1.3393	1.9936		2.5493	2.5493
Cl4	1.7719	2.3510	2.5493		2.9354
Cl5	1.7719	2.3510	2.5493	2.9354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.030	H2	C1	Cl4	108.212
H2	C1	Cl5	108.212	F3	C1	Cl4	109.258
F3	C1	Cl5	109.258	Cl4	C1	Cl5	111.850

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G*

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	-0.062
2	H	0.255
3	F	-0.225
4	Cl	0.016
5	Cl	0.016

	x	y	z	Total
	-1.136	0.802	0.000	1.391
CHELPG
AIM
ESP

	x	y	z
x	3.158	0.132	0.000
y	0.132	4.080	0.000
z	0.000	0.000	6.205

<r²>	131.226
(<r²>)^1/2	11.455

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)