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	hartrees
Energy at 0K	-1157.719914
Energy at 298.15K	-1157.721096
HF Energy	-1157.719914
Nuclear repulsion energy	300.960753

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	1037	1030	286.68	1.66	0.63	0.78
2	A₁	639	635	13.06	10.43	0.01	0.01
3	A₁	431	428	1.11	8.91	0.12	0.21
4	A₁	247	245	0.10	1.95	0.55	0.71
5	A₂	305	303	0.00	0.98	0.75	0.86
6	B₁	827	821	390.78	2.12	0.75	0.86
7	B₁	412	409	1.61	2.99	0.75	0.86
8	B₂	1095	1088	203.82	1.76	0.75	0.86
9	B₂	418	415	0.03	0.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.343
F2	0.000	1.088	1.133
F3	0.000	-1.088	1.133
Cl4	1.474	0.000	-0.660
Cl5	-1.474	0.000	-0.660

	C1	F2	F3	Cl4	Cl5
C1		1.3443	1.3443	1.7832	1.7832
F2	1.3443		2.1763	2.5635	2.5635
F3	1.3443	2.1763		2.5635	2.5635
Cl4	1.7832	2.5635	2.5635		2.9478
Cl5	1.7832	2.5635	2.5635	2.9478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.087	F2	C1	Cl4	109.300
F2	C1	Cl5	109.300	F3	C1	Cl4	109.300
F3	C1	Cl5	109.300	Cl4	C1	Cl5	111.489

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	0.728
2	F	-0.260
3	F	-0.260
4	Cl	-0.104
5	Cl	-0.104

	x	y	z	Total
	0.000	0.000	-0.338	0.338
CHELPG
AIM
ESP

<r²>	159.054
(<r²>)^1/2	12.612

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)