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	hartrees
Energy at 0K	-1396.138860
Energy at 298.15K	-1396.140622
HF Energy	-1396.138860
Nuclear repulsion energy	601.765471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1175	1171	0.00
2	A_g	949	946	0.00
3	A_g	664	662	0.00
4	A_g	398	396	0.00
5	A_g	338	337	0.00
6	A_g	233	233	0.00
7	A_u	1108	1105	368.06
8	A_u	352	351	0.30
9	A_u	213	212	1.34
10	A_u	60	60	0.09
11	B_g	1095	1092	0.00
12	B_g	511	510	0.00
13	B_g	302	301	0.00
14	B_u	1064	1061	323.10
15	B_u	762	760	412.81
16	B_u	577	575	8.37
17	B_u	401	400	1.04
18	B_u	156	156	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.750	0.000
C2	0.239	-0.750	0.000
Cl3	-2.045	0.839	0.000
Cl4	2.045	-0.839	0.000
F5	0.239	1.377	1.100
F6	0.239	1.377	-1.100
F7	-0.239	-1.377	1.100
F8	-0.239	-1.377	-1.100

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5744	1.8084	2.7821	1.3536	1.3536	2.3950	2.3950
C2	1.5744		2.7821	1.8084	2.3950	2.3950	1.3536	1.3536
Cl3	1.8084	2.7821		4.4206	2.5918	2.5918	3.0631	3.0631
Cl4	2.7821	1.8084	4.4206		3.0631	3.0631	2.5918	2.5918
F5	1.3536	2.3950	2.5918	3.0631		2.2005	2.7957	3.5578
F6	1.3536	2.3950	2.5918	3.0631	2.2005		3.5578	2.7957
F7	2.3950	1.3536	3.0631	2.5918	2.7957	3.5578		2.2005
F8	2.3950	1.3536	3.0631	2.5918	3.5578	2.7957	2.2005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.470	C1	C2	F7	109.537
C1	C2	F8	109.537	C2	C1	Cl3	110.470
C2	C1	F5	109.537	C2	C1	F6	109.537
Cl3	C1	F5	109.262	Cl3	C1	F6	109.262
Cl4	C2	F7	109.262	Cl4	C2	F8	109.262
F5	C1	F6	108.745	F7	C2	F8	108.745

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

using model chemistry: BLYP/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	0.350
2	C	0.350
3	Cl	-0.088
4	Cl	-0.088
5	F	-0.131
6	F	-0.131
7	F	-0.131
8	F	-0.131

	x	y	z
x	10.659	-0.894	0.000
y	-0.894	6.575	0.000
z	0.000	0.000	6.096

<r²>	322.623
(<r²>)^1/2	17.962

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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