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	hartrees
Energy at 0K	-1059.037017
Energy at 298.15K	-1059.038926
HF Energy	-1059.037017
Nuclear repulsion energy	208.813715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3051	3.85
2	A'	1340	1294	18.98
3	A'	1082	1044	221.23
4	A'	718	693	50.89
5	A'	450	434	1.77
6	A'	270	261	0.06
7	A"	1254	1211	63.80
8	A"	760	734	272.82
9	A"	363	350	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.526	0.000
H2	-1.077	1.132	0.000
F3	0.909	1.325	0.000
Cl4	-0.177	-0.477	1.484
Cl5	-0.177	-0.477	-1.484

	C1	H2	F3	Cl4	Cl5
C1		1.0844	1.3482	1.7912	1.7912
H2	1.0844		1.9953	2.3661	2.3661
F3	1.3482	1.9953		2.5747	2.5747
Cl4	1.7912	2.3661	2.5747		2.9674
Cl5	1.7912	2.3661	2.5747	2.9674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.747	H2	C1	Cl4	108.216
H2	C1	Cl5	108.216	F3	C1	Cl4	109.388
F3	C1	Cl5	109.388	Cl4	C1	Cl5	111.854

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/TZVP

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	0.063
2	H	0.179
3	F	-0.151
4	Cl	-0.045
5	Cl	-0.045

	x	y	z	Total
	-1.272	0.592	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	3.634	0.167	0.000
y	0.167	4.582	0.000
z	0.000	0.000	6.788

<r²>	133.867
(<r²>)^1/2	11.570

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)