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	hartrees
Energy at 0K	-1058.939689
Energy at 298.15K	-1058.941598
Nuclear repulsion energy	209.834495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3034	4.64
2	A'	1340	1293	18.41
3	A'	1143	1103	173.01
4	A'	721	696	42.89
5	A'	451	435	1.88
6	A'	268	259	0.13
7	A"	1244	1200	59.46
8	A"	761	735	256.59
9	A"	362	350	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.532	0.000
H2	-1.088	1.125	0.000
F3	0.901	1.319	0.000
Cl4	-0.175	-0.476	1.476
Cl5	-0.175	-0.476	-1.476

	C1	H2	F3	Cl4	Cl5
C1		1.0883	1.3330	1.7870	1.7870
H2	1.0883		1.9980	2.3607	2.3607
F3	1.3330	1.9980		2.5604	2.5604
Cl4	1.7870	2.3607	2.5604		2.9512
Cl5	1.7870	2.3607	2.5604	2.9512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.808	H2	C1	Cl4	107.901
H2	C1	Cl5	107.901	F3	C1	Cl4	109.442
F3	C1	Cl5	109.442	Cl4	C1	Cl5	111.333

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/6-31G(2df,p)

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	0.109
2	H	0.179
3	F	-0.067
4	Cl	-0.111
5	Cl	-0.111

	x	y	z	Total
	-0.985	0.827	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	4.049	0.145	0.000
y	0.145	4.854	0.000
z	0.000	0.000	7.006

<r²>	132.288
(<r²>)^1/2	11.502

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)