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	hartrees
Energy at 0K	-1059.065792
Energy at 298.15K	-1059.067700
Nuclear repulsion energy	209.692544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3050	0.87
2	A'	1329	1285	10.53
3	A'	1076	1041	187.37
4	A'	719	695	43.03
5	A'	449	435	1.10
6	A'	270	261	0.01
7	A"	1247	1207	48.43
8	A"	759	734	249.20
9	A"	361	349	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.178	0.524	0.000
H2	-1.075	1.132	0.000
F3	0.911	1.320	0.000
Cl4	-0.178	-0.475	1.475
Cl5	-0.178	-0.475	-1.475

	C1	H2	F3	Cl4	Cl5
C1		1.0833	1.3484	1.7816	1.7816
H2	1.0833		1.9947	2.3583	2.3583
F3	1.3484	1.9947		2.5656	2.5656
Cl4	1.7816	2.3583	2.5656		2.9498
Cl5	1.7816	2.3583	2.5656	2.9498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.752	H2	C1	Cl4	108.331
H2	C1	Cl5	108.331	F3	C1	Cl4	109.325
F3	C1	Cl5	109.325	Cl4	C1	Cl5	111.750

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.330
2	H	0.254
3	F	-0.339
4	Cl	-0.122
5	Cl	-0.122

	x	y	z	Total
	-1.150	0.560	0.000	1.279
CHELPG
AIM
ESP

	x	y	z
x	5.516	0.211	0.000
y	0.211	6.173	0.000
z	0.000	0.000	8.275

<r²>	132.745
(<r²>)^1/2	11.522

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)