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	hartrees
Energy at 0K	-1158.155890
Energy at 298.15K
HF Energy	-1158.155890
Nuclear repulsion energy	304.087778

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	1111	1111	305.73	1.20	0.75	0.86
2	A₁	672	672	14.02	5.93	0.00	0.01
3	A₁	454	454	0.57	6.79	0.18	0.31
4	A₁	258	258	0.04	2.55	0.64	0.78
5	A₂	320	320	0.00	1.29	0.75	0.86
6	B₁	887	887	412.41	2.26	0.75	0.86
7	B₁	434	434	0.53	3.50	0.75	0.86
8	B₂	1178	1178	217.80	0.50	0.75	0.86
9	B₂	437	437	0.27	1.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
F2	0.000	1.076	1.121
F3	0.000	-1.076	1.121
Cl4	1.460	0.000	-0.654
Cl5	-1.460	0.000	-0.654

	C1	F2	F3	Cl4	Cl5
C1		1.3285	1.3285	1.7665	1.7665
F2	1.3285		2.1512	2.5372	2.5372
F3	1.3285	2.1512		2.5372	2.5372
Cl4	1.7665	2.5372	2.5372		2.9191
Cl5	1.7665	2.5372	2.5372	2.9191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.113	F2	C1	Cl4	109.308
F2	C1	Cl5	109.308	F3	C1	Cl4	109.308
F3	C1	Cl5	109.308	Cl4	C1	Cl5	111.430

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: B3PW91/cc-pCVTZ

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	0.347
2	F	-0.108
3	F	-0.108
4	Cl	-0.065
5	Cl	-0.065

	x	y	z	Total
	0.000	0.000	-0.312	0.312
CHELPG
AIM
ESP

<r²>	155.969
(<r²>)^1/2	12.489

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: B3PW91/cc-pCVTZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)