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	hartrees
Energy at 0K	-1058.976164
Energy at 298.15K	-1058.978070
Nuclear repulsion energy	208.790728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3052	6.73
2	A'	1317	1277	20.67
3	A'	1113	1079	208.37
4	A'	718	696	46.87
5	A'	448	435	1.86
6	A'	271	263	0.12
7	A"	1226	1190	59.90
8	A"	764	741	267.69
9	A"	360	350	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.528	0.000
H2	-1.092	1.132	0.000
F3	0.908	1.327	0.000
Cl4	-0.177	-0.478	1.482
Cl5	-0.177	-0.478	-1.482

	C1	H2	F3	Cl4	Cl5
C1		1.0959	1.3474	1.7914	1.7914
H2	1.0959		2.0093	2.3718	2.3718
F3	1.3474	2.0093		2.5752	2.5752
Cl4	1.7914	2.3718	2.5752		2.9644
Cl5	1.7914	2.3718	2.5752	2.9644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.218	H2	C1	Cl4	108.028
H2	C1	Cl5	108.028	F3	C1	Cl4	109.441
F3	C1	Cl5	109.441	Cl4	C1	Cl5	111.664

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/cc-pVDZ

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	0.146
2	H	0.107
3	F	-0.145
4	Cl	-0.054
5	Cl	-0.054

	x	y	z	Total
	-1.106	0.704	0.000	1.311
CHELPG
AIM
ESP

	x	y	z
x	3.058	0.150	0.000
y	0.150	4.095	0.000
z	0.000	0.000	6.311

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)