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	hartrees
Energy at 0K	-1151.859080
Energy at 298.15K
HF Energy	-1151.709063
Nuclear repulsion energy	291.034848

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	1123	1123	296.60	2.11	0.74	0.85
2	A₁	601	601	31.57	6.04	0.00	0.00
3	A₁	385	385	2.14	16.45	0.21	0.34
4	A₁	231	231	0.40	6.53	0.66	0.80
5	A₂	282	282	0.00	3.22	0.75	0.86
6	B₁	774	774	444.37	4.37	0.75	0.86
7	B₁	373	373	2.24	7.93	0.75	0.86
8	B₂	1277	1277	194.16	0.14	0.75	0.86
9	B₂	372	372	6.05	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.400
F2	0.000	1.113	1.167
F3	0.000	-1.113	1.167
Cl4	1.532	0.000	-0.689
Cl5	-1.532	0.000	-0.689

	C1	F2	F3	Cl4	Cl5
C1		1.3517	1.3517	1.8795	1.8795
F2	1.3517		2.2261	2.6514	2.6514
F3	1.3517	2.2261		2.6514	2.6514
Cl4	1.8795	2.6514	2.6514		3.0637
Cl5	1.8795	2.6514	2.6514	3.0637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	110.861	F2	C1	Cl4	109.193
F2	C1	Cl5	109.193	F3	C1	Cl4	109.193
F3	C1	Cl5	109.193	Cl4	C1	Cl5	109.186

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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	0.303
2	F	-0.232
3	F	-0.232
4	Cl	0.080
5	Cl	0.080

	x	y	z	Total
	0.000	0.000	0.331	0.331
CHELPG
AIM
ESP

<r²>	169.604
(<r²>)^1/2	13.023

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)