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	hartrees
Energy at 0K	-1395.170679
Energy at 298.15K	-1395.172489
HF Energy	-1395.170679
Nuclear repulsion energy	605.198431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1230	1223	0.00
2	A_g	982	976	0.00
3	A_g	675	671	0.00
4	A_g	412	410	0.00
5	A_g	341	339	0.00
6	A_g	240	239	0.00
7	A_u	1176	1169	406.20
8	A_u	355	353	0.62
9	A_u	203	202	1.74
10	A_u	49	49	0.04
11	B_g	1158	1151	0.00
12	B_g	515	512	0.00
13	B_g	303	301	0.00
14	B_u	1105	1099	363.36
15	B_u	786	781	415.14
16	B_u	584	580	9.99
17	B_u	411	408	0.33
18	B_u	158	157	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.746	0.000
C2	0.237	-0.746	0.000
Cl3	-2.032	0.821	0.000
Cl4	2.032	-0.821	0.000
F5	0.237	1.370	1.098
F6	0.237	1.370	-1.098
F7	-0.237	-1.370	1.098
F8	-0.237	-1.370	-1.098

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5655	1.7969	2.7577	1.3486	1.3486	2.3838	2.3838
C2	1.5655		2.7577	1.7969	2.3838	2.3838	1.3486	1.3486
Cl3	1.7969	2.7577		4.3837	2.5798	2.5798	3.0379	3.0379
Cl4	2.7577	1.7969	4.3837		3.0379	3.0379	2.5798	2.5798
F5	1.3486	2.3838	2.5798	3.0379		2.1954	2.7807	3.5428
F6	1.3486	2.3838	2.5798	3.0379	2.1954		3.5428	2.7807
F7	2.3838	1.3486	3.0379	2.5798	2.7807	3.5428		2.1954
F8	2.3838	1.3486	3.0379	2.5798	3.5428	2.7807	2.1954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.009	C1	C2	F7	109.551
C1	C2	F8	109.551	C2	C1	Cl3	110.009
C2	C1	F5	109.551	C2	C1	F6	109.551
Cl3	C1	F5	109.373	Cl3	C1	F6	109.373
Cl4	C2	F7	109.373	Cl4	C2	F8	109.373
F5	C1	F6	108.965	F7	C2	F8	108.965

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

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	0.223
2	C	0.223
3	Cl	-0.025
4	Cl	-0.025
5	F	-0.099
6	F	-0.099
7	F	-0.099
8	F	-0.099

	x	y	z
x	9.440	-0.763	0.000
y	-0.763	5.118	0.000
z	0.000	0.000	4.806

<r²>	318.267
(<r²>)^1/2	17.840

All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)