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	hartrees
Energy at 0K	-505.435204
Energy at 298.15K	-505.436825
HF Energy	-505.435204
Nuclear repulsion energy	372.901294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1202	1155	0.00
2	A_g	978	940	0.00
3	A_g	640	615	0.00
4	A_g	399	383	0.00
5	A_g	331	318	0.00
6	A_g	237	228	0.00
7	A_u	1099	1056	376.19
8	A_u	343	329	2.07
9	A_u	207	199	4.02
10	A_u	55	53	0.45
11	B_g	1077	1035	0.00
12	B_g	505	486	0.00
13	B_g	292	280	0.00
14	B_u	1049	1008	305.82
15	B_u	782	752	314.88
16	B_u	540	519	17.19
17	B_u	395	379	2.16
18	B_u	154	148	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.740	0.000
C2	0.249	-0.740	0.000
Cl3	-2.078	0.848	0.000
Cl4	2.078	-0.848	0.000
F5	0.249	1.392	1.127
F6	0.249	1.392	-1.127
F7	-0.249	-1.392	1.127
F8	-0.249	-1.392	-1.127

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5612	1.8325	2.8171	1.3940	1.3940	2.4112	2.4112
C2	1.5612		2.8171	1.8325	2.4112	2.4112	1.3940	1.3940
Cl3	1.8325	2.8171		4.4890	2.6424	2.6424	3.1034	3.1034
Cl4	2.8171	1.8325	4.4890		3.1034	3.1034	2.6424	2.6424
F5	1.3940	2.4112	2.6424	3.1034		2.2545	2.8274	3.6162
F6	1.3940	2.4112	2.6424	3.1034	2.2545		3.6162	2.8274
F7	2.4112	1.3940	3.1034	2.6424	2.8274	3.6162		2.2545
F8	2.4112	1.3940	3.1034	2.6424	3.6162	2.8274	2.2545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.967	C1	C2	F7	109.223
C1	C2	F8	109.223	C2	C1	Cl3	111.967
C2	C1	F5	109.223	C2	C1	F6	109.223
Cl3	C1	F5	109.209	Cl3	C1	F6	109.209
Cl4	C2	F7	109.209	Cl4	C2	F8	109.209
F5	C1	F6	107.925	F7	C2	F8	107.925

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

using model chemistry: B3LYP/LANL2DZ

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	0.201
2	C	0.201
3	Cl	0.087
4	Cl	0.087
5	F	-0.144
6	F	-0.144
7	F	-0.144
8	F	-0.144

	x	y	z
x	9.001	-0.518	0.000
y	-0.518	4.055	0.000
z	0.000	0.000	4.059

<r²>	230.982
(<r²>)^1/2	15.198

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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