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	hartrees
Energy at 0K	-1059.021336
Energy at 298.15K	-1059.023169
HF Energy	-1059.021336
Nuclear repulsion energy	208.822732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	3044	2.39
2	A'	1294	1274	9.59
3	A'	1035	1019	191.39
4	A'	693	682	47.62
5	A'	437	430	1.29
6	A'	264	260	0.00
7	A"	1215	1196	45.67
8	A"	709	698	268.56
9	A"	349	344	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.178	0.526	0.000
H2	-1.083	1.131	0.000
F3	0.912	1.331	0.000
Cl4	-0.178	-0.478	1.480
Cl5	-0.178	-0.478	-1.480

	C1	H2	F3	Cl4	Cl5
C1		1.0887	1.3545	1.7884	1.7884
H2	1.0887		2.0043	2.3664	2.3664
F3	1.3545	2.0043		2.5786	2.5786
Cl4	1.7884	2.3664	2.5786		2.9597
Cl5	1.7884	2.3664	2.5786	2.9597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.768	H2	C1	Cl4	108.196
H2	C1	Cl5	108.196	F3	C1	Cl4	109.487
F3	C1	Cl5	109.487	Cl4	C1	Cl5	111.675

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B97D3/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	0.413
2	H	0.205
3	F	-0.324
4	Cl	-0.147
5	Cl	-0.147

	x	y	z	Total
	-1.074	0.605	0.000	1.233
CHELPG
AIM
ESP

	x	y	z
x	5.643	0.231	0.000
y	0.231	6.336	0.000
z	0.000	0.000	8.506

<r²>	133.518
(<r²>)^1/2	11.555

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)