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	hartrees
Energy at 0K	-1059.056170
Energy at 298.15K	-1059.058078
HF Energy	-1059.056170
Nuclear repulsion energy	210.064269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3031	2.78
2	A'	1334	1284	12.30
3	A'	1081	1040	193.57
4	A'	722	695	44.62
5	A'	451	434	1.15
6	A'	271	261	0.02
7	A"	1251	1204	50.28
8	A"	764	735	251.63
9	A"	362	348	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.518	0.000
H2	-1.082	1.113	0.000
F3	0.899	1.330	0.000
Cl4	-0.175	-0.476	1.471
Cl5	-0.175	-0.476	-1.471

	C1	H2	F3	Cl4	Cl5
C1		1.0849	1.3460	1.7757	1.7757
H2	1.0849		1.9927	2.3482	2.3482
F3	1.3460	1.9927		2.5649	2.5649
Cl4	1.7757	2.3482	2.5649		2.9423
Cl5	1.7757	2.3482	2.5649	2.9423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.651	H2	C1	Cl4	107.892
H2	C1	Cl5	107.892	F3	C1	Cl4	109.733
F3	C1	Cl5	109.733	Cl4	C1	Cl5	111.887

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/Def2TZVPP

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	0.162
2	H	0.154
3	F	-0.161
4	Cl	-0.077
5	Cl	-0.077

	x	y	z	Total
	-1.154	0.534	0.000	1.271
CHELPG
AIM
ESP

	x	y	z
x	4.316	0.186	0.000
y	0.186	5.136	0.000
z	0.000	0.000	7.248

<r²>	132.185
(<r²>)^1/2	11.497

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)