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	hartrees
Energy at 0K	-137.911881
Energy at 298.15K	-137.913806
HF Energy	-137.911881
Nuclear repulsion energy	238.019321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1259	1221	0.00
2	A_g	1037	1006	0.00
3	A_g	687	666	0.00
4	A_g	426	413	0.00
5	A_g	347	337	0.00
6	A_g	241	234	0.00
7	A_u	1185	1148	404.03
8	A_u	363	352	0.46
9	A_u	217	211	1.70
10	A_u	58	57	0.23
11	B_g	1177	1141	0.00
12	B_g	527	511	0.00
13	B_g	311	302	0.00
14	B_u	1124	1089	382.02
15	B_u	822	797	406.51
16	B_u	591	573	12.09
17	B_u	421	408	0.48
18	B_u	160	155	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.750	0.000
C2	0.243	-0.750	0.000
Cl3	-2.034	0.847	0.000
Cl4	2.034	-0.847	0.000
F5	0.243	1.374	1.097
F6	0.243	1.374	-1.097
F7	-0.243	-1.374	1.097
F8	-0.243	-1.374	-1.097

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5774	1.7937	2.7810	1.3516	1.3516	2.3910	2.3910
C2	1.5774		2.7810	1.7937	2.3910	2.3910	1.3516	1.3516
Cl3	1.7937	2.7810		4.4062	2.5810	2.5810	3.0569	3.0569
Cl4	2.7810	1.7937	4.4062		3.0569	3.0569	2.5810	2.5810
F5	1.3516	2.3910	2.5810	3.0569		2.1931	2.7909	3.5495
F6	1.3516	2.3910	2.5810	3.0569	2.1931		3.5495	2.7909
F7	2.3910	1.3516	3.0569	2.5810	2.7909	3.5495		2.1931
F8	2.3910	1.3516	3.0569	2.5810	3.5495	2.7909	2.1931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.000	C1	C2	F7	109.190
C1	C2	F8	109.190	C2	C1	Cl3	111.000
C2	C1	F5	109.190	C2	C1	F6	109.190
Cl3	C1	F5	109.485	Cl3	C1	F6	109.485
Cl4	C2	F7	109.485	Cl4	C2	F8	109.485
F5	C1	F6	108.447	F7	C2	F8	108.447

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	0.399
2	C	0.399
3	Cl	-0.046
4	Cl	-0.046
5	F	-0.177
6	F	-0.177
7	F	-0.177
8	F	-0.177

	x	y	z
x	9.916	-0.786	0.000
y	-0.786	6.004	0.000
z	0.000	0.000	5.496

<r²>	195.369
(<r²>)^1/2	13.977

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)