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	hartrees
Energy at 0K	-1388.321203
Energy at 298.15K	-1388.322795
HF Energy	-1388.321203
Nuclear repulsion energy	601.623676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1189	1134	0.00
2	A_g	949	905	0.00
3	A_g	647	617	0.00
4	A_g	387	369	0.00
5	A_g	331	315	0.00
6	A_g	247	235	0.00
7	A_u	1216	1159	251.58
8	A_u	333	318	2.11
9	A_u	194	185	2.68
10	A_u	45	43	0.01
11	B_g	1164	1110	0.00
12	B_g	491	468	0.00
13	B_g	286	272	0.00
14	B_u	1106	1054	268.69
15	B_u	755	720	420.74
16	B_u	549	524	15.72
17	B_u	385	367	0.45
18	B_u	158	151	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.738	0.000
C2	0.238	-0.738	0.000
Cl3	-2.041	0.777	0.000
Cl4	2.041	-0.777	0.000
F5	0.238	1.368	1.127
F6	0.238	1.368	-1.127
F7	-0.238	-1.368	1.127
F8	-0.238	-1.368	-1.127

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5507	1.8033	2.7371	1.3764	1.3764	2.3887	2.3887
C2	1.5507		2.7371	1.8033	2.3887	2.3887	1.3764	1.3764
Cl3	1.8033	2.7371		4.3683	2.6106	2.6106	3.0207	3.0207
Cl4	2.7371	1.8033	4.3683		3.0207	3.0207	2.6106	2.6106
F5	1.3764	2.3887	2.6106	3.0207		2.2536	2.7781	3.5772
F6	1.3764	2.3887	2.6106	3.0207	2.2536		3.5772	2.7781
F7	2.3887	1.3764	3.0207	2.6106	2.7781	3.5772		2.2536
F8	2.3887	1.3764	3.0207	2.6106	3.5772	2.7781	2.2536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.157	C1	C2	F7	109.244
C1	C2	F8	109.244	C2	C1	Cl3	109.157
C2	C1	F5	109.244	C2	C1	F6	109.244
Cl3	C1	F5	109.641	Cl3	C1	F6	109.641
Cl4	C2	F7	109.641	Cl4	C2	F8	109.641
F5	C1	F6	109.898	F7	C2	F8	109.898

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

using model chemistry: PBEPBE/3-21G*

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	0.343
2	C	0.343
3	Cl	0.063
4	Cl	0.063
5	F	-0.203
6	F	-0.203
7	F	-0.203
8	F	-0.203

	x	y	z
x	9.218	-0.684	0.000
y	-0.684	4.514	0.000
z	0.000	0.000	4.573

<r²>	319.596
(<r²>)^1/2	17.877

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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