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	hartrees
Energy at 0K	-1058.457107
Energy at 298.15K	-1058.459077
HF Energy	-1058.457107
Nuclear repulsion energy	210.991012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3036	7.66
2	A'	1364	1296	26.12
3	A'	1168	1110	189.43
4	A'	753	716	47.81
5	A'	465	441	2.27
6	A'	282	268	0.27
7	A"	1298	1234	68.55
8	A"	810	770	274.18
9	A"	372	353	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.521	0.000
H2	-1.081	1.128	0.000
F3	0.906	1.308	0.000
Cl4	-0.177	-0.471	1.466
Cl5	-0.177	-0.471	-1.466

	C1	H2	F3	Cl4	Cl5
C1		1.0892	1.3388	1.7704	1.7704
H2	1.0892		1.9948	2.3508	2.3508
F3	1.3388	1.9948		2.5475	2.5475
Cl4	1.7704	2.3508	2.5475		2.9325
Cl5	1.7704	2.3508	2.5475	2.9325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.062	H2	C1	Cl4	108.213
H2	C1	Cl5	108.213	F3	C1	Cl4	109.253
F3	C1	Cl5	109.253	Cl4	C1	Cl5	111.829

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBE1PBE/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	-0.069
2	H	0.255
3	F	-0.222
4	Cl	0.018
5	Cl	0.018

	x	y	z	Total
	-1.123	0.807	0.000	1.383
CHELPG
AIM
ESP

	x	y	z
x	3.166	0.128	0.000
y	0.128	4.084	0.000
z	0.000	0.000	6.198

<r²>	131.085
(<r²>)^1/2	11.449

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)