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	hartrees
Energy at 0K	-1388.847658
Energy at 298.15K	-1388.849010
HF Energy	-1388.847658
Nuclear repulsion energy	588.326147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1200	1193	0.00
2	A_g	890	885	0.00
3	A_g	637	634	0.00
4	A_g	339	337	0.00
5	A_g	328	327	0.00
6	A_g	227	225	0.00
7	A_u	1232	1226	283.06
8	A_u	300	298	3.63
9	A_u	195	194	3.70
10	A_u	47	46	0.24
11	B_g	1188	1182	0.00
12	B_g	476	474	0.00
13	B_g	264	262	0.00
14	B_u	1109	1103	271.85
15	B_u	691	687	407.49
16	B_u	543	540	17.43
17	B_u	349	348	4.65
18	B_u	147	146	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.218	0.741	0.000
C2	0.218	-0.741	0.000
Cl3	-2.154	0.747	0.000
Cl4	2.154	-0.747	0.000
F5	0.218	1.380	1.130
F6	0.218	1.380	-1.130
F7	-0.218	-1.380	1.130
F8	-0.218	-1.380	-1.130

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5443	1.9366	2.8000	1.3691	1.3691	2.4030	2.4030
C2	1.5443		2.8000	1.9366	2.4030	2.4030	1.3691	1.3691
Cl3	1.9366	2.8000		4.5603	2.7026	2.7026	3.0904	3.0904
Cl4	2.8000	1.9366	4.5603		3.0904	3.0904	2.7026	2.7026
F5	1.3691	2.4030	2.7026	3.0904		2.2593	2.7944	3.5935
F6	1.3691	2.4030	2.7026	3.0904	2.2593		3.5935	2.7944
F7	2.4030	1.3691	3.0904	2.7026	2.7944	3.5935		2.2593
F8	2.4030	1.3691	3.0904	2.7026	3.5935	2.7944	2.2593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	106.556	C1	C2	F7	110.999
C1	C2	F8	110.999	C2	C1	Cl3	106.556
C2	C1	F5	110.999	C2	C1	F6	110.999
Cl3	C1	F5	108.456	Cl3	C1	F6	108.456
Cl4	C2	F7	108.456	Cl4	C2	F8	108.456
F5	C1	F6	111.196	F7	C2	F8	111.196

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

using model chemistry: BLYP/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	0.354
2	C	0.354
3	Cl	0.019
4	Cl	0.019
5	F	-0.187
6	F	-0.187
7	F	-0.187
8	F	-0.187

	x	y	z
x	10.533	-0.763	0.000
y	-0.763	4.028	0.000
z	0.000	0.000	4.063

<r²>	336.017
(<r²>)^1/2	18.331

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

using model chemistry: BLYP/3-21G

States and conformations

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