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	hartrees
Energy at 0K	-1395.366090
Energy at 298.15K	-1395.367955
HF Energy	-1395.366090
Nuclear repulsion energy	606.954570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1212	1203	0.00
2	A_g	977	970	0.00
3	A_g	679	674	0.00
4	A_g	414	411	0.00
5	A_g	343	341	0.00
6	A_g	238	236	0.00
7	A_u	1148	1140	366.40
8	A_u	358	355	0.33
9	A_u	212	211	1.22
10	A_u	62	61	0.08
11	B_g	1130	1122	0.00
12	B_g	519	516	0.00
13	B_g	306	304	0.00
14	B_u	1094	1086	332.57
15	B_u	789	783	403.79
16	B_u	586	582	8.88
17	B_u	412	410	0.28
18	B_u	158	157	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.746	0.000
C2	0.237	-0.746	0.000
Cl3	-2.023	0.820	0.000
Cl4	2.023	-0.820	0.000
F5	0.237	1.368	1.095
F6	0.237	1.368	-1.095
F7	-0.237	-1.368	1.095
F8	-0.237	-1.368	-1.095

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5660	1.7871	2.7500	1.3457	1.3457	2.3811	2.3811
C2	1.5660		2.7500	1.7871	2.3811	2.3811	1.3457	1.3457
Cl3	1.7871	2.7500		4.3658	2.5705	2.5705	3.0294	3.0294
Cl4	2.7500	1.7871	4.3658		3.0294	3.0294	2.5705	2.5705
F5	1.3457	2.3811	2.5705	3.0294		2.1892	2.7778	3.5368
F6	1.3457	2.3811	2.5705	3.0294	2.1892		3.5368	2.7778
F7	2.3811	1.3457	3.0294	2.5705	2.7778	3.5368		2.1892
F8	2.3811	1.3457	3.0294	2.5705	3.5368	2.7778	2.1892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.026	C1	C2	F7	109.497
C1	C2	F8	109.497	C2	C1	Cl3	110.026
C2	C1	F5	109.497	C2	C1	F6	109.497
Cl3	C1	F5	109.468	Cl3	C1	F6	109.468
Cl4	C2	F7	109.468	Cl4	C2	F8	109.468
F5	C1	F6	108.865	F7	C2	F8	108.865

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.301
2	C	0.301
3	Cl	-0.084
4	Cl	-0.084
5	F	-0.108
6	F	-0.108
7	F	-0.108
8	F	-0.108

	x	y	z
x	10.428	-0.840	0.000
y	-0.840	6.531	0.000
z	0.000	0.000	6.064

<r²>	316.819
(<r²>)^1/2	17.799

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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