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	hartrees
Energy at 0K	-1058.434548
Energy at 298.15K	-1058.436398
Nuclear repulsion energy	208.228998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3043	7.51
2	A'	1265	1257	18.04
3	A'	1083	1077	203.77
4	A'	702	698	46.85
5	A'	439	437	1.81
6	A'	264	262	0.08
7	A"	1177	1171	52.21
8	A"	738	734	277.10
9	A"	350	348	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.530	0.000
H2	-1.103	1.134	0.000
F3	0.911	1.335	0.000
Cl4	-0.177	-0.480	1.484
Cl5	-0.177	-0.480	-1.484

	C1	H2	F3	Cl4	Cl5
C1		1.1055	1.3539	1.7947	1.7947
H2	1.1055		2.0244	2.3797	2.3797
F3	1.3539	2.0244		2.5846	2.5846
Cl4	1.7947	2.3797	2.5846		2.9675
Cl5	1.7947	2.3797	2.5846	2.9675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.391	H2	C1	Cl4	107.900
H2	C1	Cl5	107.900	F3	C1	Cl4	109.547
F3	C1	Cl5	109.547	Cl4	C1	Cl5	111.530

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBE/cc-pVDZ

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	0.077
2	H	0.119
3	F	-0.111
4	Cl	-0.042
5	Cl	-0.042

	x	y	z	Total
	-1.000	0.745	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	3.142	0.175	0.000
y	0.175	4.224	0.000
z	0.000	0.000	6.500

<r²>	133.850
(<r²>)^1/2	11.569

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)