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	hartrees
Energy at 0K	-1058.397711
Energy at 298.15K	-1058.399563
Nuclear repulsion energy	209.276349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3031	5.09
2	A'	1286	1273	15.98
3	A'	1110	1099	168.84
4	A'	707	700	42.14
5	A'	441	437	1.90
6	A'	261	258	0.10
7	A"	1193	1181	51.92
8	A"	738	730	262.11
9	A"	352	348	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.176	0.533	0.000
H2	-1.099	1.127	0.000
F3	0.904	1.326	0.000
Cl4	-0.176	-0.478	1.477
Cl5	-0.176	-0.478	-1.477

	C1	H2	F3	Cl4	Cl5
C1		1.0982	1.3401	1.7900	1.7900
H2	1.0982		2.0136	2.3690	2.3690
F3	1.3401	2.0136		2.5698	2.5698
Cl4	1.7900	2.3690	2.5698		2.9536
Cl5	1.7900	2.3690	2.5698	2.9536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.961	H2	C1	Cl4	107.805
H2	C1	Cl5	107.805	F3	C1	Cl4	109.534
F3	C1	Cl5	109.534	Cl4	C1	Cl5	111.186

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.045
2	H	0.185
3	F	-0.034
4	Cl	-0.098
5	Cl	-0.098

	x	y	z	Total
	-0.892	0.872	0.000	1.248
CHELPG
AIM
ESP

	x	y	z
x	4.146	0.168	0.000
y	0.168	4.990	0.000
z	0.000	0.000	7.205

<r²>	132.696
(<r²>)^1/2	11.519

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)