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	hartrees
Energy at 0K	-137.750450
Energy at 298.15K	-137.752111
HF Energy	-137.750450
Nuclear repulsion energy	232.109808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1194	1163	0.00
2	A_g	985	959	0.00
3	A_g	632	616	0.00
4	A_g	402	392	0.00
5	A_g	327	318	0.00
6	A_g	233	227	0.00
7	A_u	1086	1058	345.28
8	A_u	338	330	1.21
9	A_u	209	203	3.12
10	A_u	55	53	0.63
11	B_g	1075	1048	0.00
12	B_g	501	488	0.00
13	B_g	290	283	0.00
14	B_u	1040	1013	325.06
15	B_u	786	766	336.35
16	B_u	534	520	17.62
17	B_u	394	384	4.19
18	B_u	152	148	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.254	0.745	0.000
C2	0.254	-0.745	0.000
Cl3	-2.088	0.858	0.000
Cl4	2.088	-0.858	0.000
F5	0.254	1.398	1.132
F6	0.254	1.398	-1.132
F7	-0.254	-1.398	1.132
F8	-0.254	-1.398	-1.132

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5736	1.8378	2.8381	1.4023	1.4023	2.4235	2.4235
C2	1.5736		2.8381	1.8378	2.4235	2.4235	1.4023	1.4023
Cl3	1.8378	2.8381		4.5154	2.6572	2.6572	3.1202	3.1202
Cl4	2.8381	1.8378	4.5154		3.1202	3.1202	2.6572	2.6572
F5	1.4023	2.4235	2.6572	3.1202		2.2635	2.8426	3.6337
F6	1.4023	2.4235	2.6572	3.1202	2.2635		3.6337	2.8426
F7	2.4235	1.4023	3.1202	2.6572	2.8426	3.6337		2.2635
F8	2.4235	1.4023	3.1202	2.6572	3.6337	2.8426	2.2635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.366	C1	C2	F7	108.920
C1	C2	F8	108.920	C2	C1	Cl3	112.366
C2	C1	F5	108.920	C2	C1	F6	108.920
Cl3	C1	F5	109.450	Cl3	C1	F6	109.450
Cl4	C2	F7	109.450	Cl4	C2	F8	109.450
F5	C1	F6	107.617	F7	C2	F8	107.617

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

using model chemistry: B3LYP/CEP-121G

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	0.015
2	C	0.015
3	Cl	0.202
4	Cl	0.202
5	F	-0.108
6	F	-0.108
7	F	-0.108
8	F	-0.108

	x	y	z
x	10.103	-0.666	0.000
y	-0.666	5.090	0.000
z	0.000	0.000	4.923

<r²>	204.246
(<r²>)^1/2	14.291

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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