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	hartrees
Energy at 0K	-1058.514716
Energy at 298.15K	-1058.516564
HF Energy	-1058.514716
Nuclear repulsion energy	209.500239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	3029	3.50
2	A'	1275	1260	9.87
3	A'	1039	1026	189.73
4	A'	707	699	44.83
5	A'	441	436	1.05
6	A'	264	261	0.01
7	A"	1197	1183	43.82
8	A"	741	732	257.34
9	A"	351	347	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.520	0.000
H2	-1.095	1.113	0.000
F3	0.900	1.339	0.000
Cl4	-0.175	-0.479	1.472
Cl5	-0.175	-0.479	-1.472

	C1	H2	F3	Cl4	Cl5
C1		1.0949	1.3519	1.7785	1.7785
H2	1.0949		2.0083	2.3551	2.3551
F3	1.3519	2.0083		2.5744	2.5744
Cl4	1.7785	2.3551	2.5744		2.9432
Cl5	1.7785	2.3551	2.5744	2.9432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.882	H2	C1	Cl4	107.710
H2	C1	Cl5	107.710	F3	C1	Cl4	109.903
F3	C1	Cl5	109.903	Cl4	C1	Cl5	111.675

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBE/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	0.115
2	H	0.143
3	F	-0.120
4	Cl	-0.069
5	Cl	-0.069

	x	y	z	Total
	-1.070	0.539	0.000	1.198
CHELPG
AIM
ESP

	x	y	z
x	4.433	0.211	0.000
y	0.211	5.297	0.000
z	0.000	0.000	7.467

<r²>	132.555
(<r²>)^1/2	11.513

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)