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	hartrees
Energy at 0K	-1157.697910
Energy at 298.15K	-1157.699258
HF Energy	-1157.697910
Nuclear repulsion energy	303.688857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1112	1112	291.40	2.38	0.51	0.68
2	A₁	670	670	11.22	10.42	0.01	0.02
3	A₁	458	458	0.11	7.39	0.12	0.22
4	A₁	262	262	0.06	1.62	0.57	0.72
5	A₂	320	320	0.00	0.87	0.75	0.86
6	B₁	909	909	387.79	2.58	0.75	0.86
7	B₁	438	438	0.01	2.53	0.75	0.86
8	B₂	1174	1174	205.74	1.55	0.75	0.86
9	B₂	436	436	0.11	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
F2	0.000	1.080	1.122
F3	0.000	-1.080	1.122
Cl4	1.461	0.000	-0.653
Cl5	-1.461	0.000	-0.653

	C1	F2	F3	Cl4	Cl5
C1		1.3343	1.3343	1.7653	1.7653
F2	1.3343		2.1590	2.5399	2.5399
F3	1.3343	2.1590		2.5399	2.5399
Cl4	1.7653	2.5399	2.5399		2.9218
Cl5	1.7653	2.5399	2.5399	2.9218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.006	F2	C1	Cl4	109.264
F2	C1	Cl5	109.264	F3	C1	Cl4	109.264
F3	C1	Cl5	109.264	Cl4	C1	Cl5	111.701

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: PBE1PBE/daug-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	0.579
2	F	-0.498
3	F	-0.498
4	Cl	0.209
5	Cl	0.209

	x	y	z	Total
	0.000	0.000	-0.402	0.402
CHELPG
AIM
ESP

<r²>	156.552
(<r²>)^1/2	12.512

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)