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	hartrees
Energy at 0K	-1388.674350
Energy at 298.15K	-1388.676066
HF Energy	-1388.674350
Nuclear repulsion energy	599.223793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1279	1230	0.00
2	A_g	983	945	0.00
3	A_g	670	644	0.00
4	A_g	380	366	0.00
5	A_g	346	333	0.00
6	A_g	245	236	0.00
7	A_u	1301	1251	292.14
8	A_u	327	315	3.91
9	A_u	202	194	4.13
10	A_u	55	53	0.02
11	B_g	1257	1208	0.00
12	B_g	504	484	0.00
13	B_g	287	276	0.00
14	B_u	1171	1125	302.31
15	B_u	764	734	408.35
16	B_u	569	547	20.62
17	B_u	383	369	0.62
18	B_u	158	152	3.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.731	0.000
C2	0.223	-0.731	0.000
Cl3	-2.094	0.757	0.000
Cl4	2.094	-0.757	0.000
F5	0.223	1.360	1.115
F6	0.223	1.360	-1.115
F7	-0.223	-1.360	1.115
F8	-0.223	-1.360	-1.115

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5277	1.8712	2.7532	1.3559	1.3559	2.3695	2.3695
C2	1.5277		2.7532	1.8712	2.3695	2.3695	1.3559	1.3559
Cl3	1.8712	2.7532		4.4530	2.6408	2.6408	3.0375	3.0375
Cl4	2.7532	1.8712	4.4530		3.0375	3.0375	2.6408	2.6408
F5	1.3559	2.3695	2.6408	3.0375		2.2305	2.7562	3.5457
F6	1.3559	2.3695	2.6408	3.0375	2.2305		3.5457	2.7562
F7	2.3695	1.3559	3.0375	2.6408	2.7562	3.5457		2.2305
F8	2.3695	1.3559	3.0375	2.6408	3.5457	2.7562	2.2305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	107.768	C1	C2	F7	110.372
C1	C2	F8	110.372	C2	C1	Cl3	107.768
C2	C1	F5	110.372	C2	C1	F6	110.372
Cl3	C1	F5	108.786	Cl3	C1	F6	108.786
Cl4	C2	F7	108.786	Cl4	C2	F8	108.786
F5	C1	F6	110.680	F7	C2	F8	110.680

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

using model chemistry: B3PW91/3-21G

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	0.366
2	C	0.366
3	Cl	0.089
4	Cl	0.089
5	F	-0.227
6	F	-0.227
7	F	-0.227
8	F	-0.227

	x	y	z
x	9.503	-0.656	0.000
y	-0.656	3.747	0.000
z	0.000	0.000	3.837

<r²>	324.565
(<r²>)^1/2	18.016

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

using model chemistry: B3PW91/3-21G

States and conformations

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