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	hartrees
Energy at 0K	-135.582780
Energy at 298.15K	-135.585015
HF Energy	-135.582780
Nuclear repulsion energy	236.742780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1368	1249	0.00
2	A_g	1141	1042	0.00
3	A_g	699	638	0.00
4	A_g	451	412	0.00
5	A_g	365	333	0.00
6	A_g	262	239	0.00
7	A_u	1255	1146	385.48
8	A_u	376	343	2.42
9	A_u	233	212	4.59
10	A_u	69	63	0.87
11	B_g	1253	1143	0.00
12	B_g	558	509	0.00
13	B_g	327	299	0.00
14	B_u	1180	1077	383.17
15	B_u	888	810	318.49
16	B_u	591	539	27.46
17	B_u	440	402	14.70
18	B_u	171	156	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.736	0.000
C2	0.250	-0.736	0.000
Cl3	-2.049	0.855	0.000
Cl4	2.049	-0.855	0.000
F5	0.250	1.371	1.106
F6	0.250	1.371	-1.106
F7	-0.250	-1.371	1.106
F8	-0.250	-1.371	-1.106

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5545	1.8029	2.7960	1.3702	1.3702	2.3798	2.3798
C2	1.5545		2.7960	1.8029	2.3798	2.3798	1.3702	1.3702
Cl3	1.8029	2.7960		4.4406	2.6031	2.6031	3.0686	3.0686
Cl4	2.7960	1.8029	4.4406		3.0686	3.0686	2.6031	2.6031
F5	1.3702	2.3798	2.6031	3.0686		2.2126	2.7874	3.5588
F6	1.3702	2.3798	2.6031	3.0686	2.2126		3.5588	2.7874
F7	2.3798	1.3702	3.0686	2.6031	2.7874	3.5588		2.2126
F8	2.3798	1.3702	3.0686	2.6031	3.5588	2.7874	2.2126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.560	C1	C2	F7	108.750
C1	C2	F8	108.750	C2	C1	Cl3	112.560
C2	C1	F5	108.750	C2	C1	F6	108.750
Cl3	C1	F5	109.487	Cl3	C1	F6	109.487
Cl4	C2	F7	109.487	Cl4	C2	F8	109.487
F5	C1	F6	107.683	F7	C2	F8	107.683

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

using model chemistry: HF/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	0.227
2	C	0.227
3	Cl	0.179
4	Cl	0.179
5	F	-0.203
6	F	-0.203
7	F	-0.203
8	F	-0.203

	x	y	z
x	9.009	-0.587	0.000
y	-0.587	4.409	0.000
z	0.000	0.000	4.315

<r²>	198.638
(<r²>)^1/2	14.094

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

using model chemistry: HF/CEP-121G

States and conformations

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