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	hartrees
Energy at 0K	-1393.804703
Energy at 298.15K	-1393.806924
HF Energy	-1392.495260
Nuclear repulsion energy	611.416167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1352	1281	0.00
2	A_g	1105	1047	0.00
3	A_g	714	677	0.00
4	A_g	452	428	0.00
5	A_g	366	346	0.00
6	A_g	261	247	0.00
7	A_u	1273	1206	408.78
8	A_u	382	362	1.01
9	A_u	223	211	2.24
10	A_u	69	66	0.20
11	B_g	1261	1195	0.00
12	B_g	551	522	0.00
13	B_g	329	312	0.00
14	B_u	1188	1125	395.93
15	B_u	867	822	357.59
16	B_u	616	584	13.40
17	B_u	444	421	2.17
18	B_u	172	163	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.738	0.000
C2	0.239	-0.738	0.000
Cl3	-2.009	0.818	0.000
Cl4	2.009	-0.818	0.000
F5	0.239	1.353	1.088
F6	0.239	1.353	-1.088
F7	-0.239	-1.353	1.088
F8	-0.239	-1.353	-1.088

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5519	1.7719	2.7342	1.3382	1.3382	2.3575	2.3575
C2	1.5519		2.7342	1.7719	2.3575	2.3575	1.3382	1.3382
Cl3	1.7719	2.7342		4.3385	2.5545	2.5545	3.0050	3.0050
Cl4	2.7342	1.7719	4.3385		3.0050	3.0050	2.5545	2.5545
F5	1.3382	2.3575	2.5545	3.0050		2.1765	2.7480	3.5055
F6	1.3382	2.3575	2.5545	3.0050	2.1765		3.5055	2.7480
F7	2.3575	1.3382	3.0050	2.5545	2.7480	3.5055		2.1765
F8	2.3575	1.3382	3.0050	2.5545	3.5055	2.7480	2.1765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.516	C1	C2	F7	109.087
C1	C2	F8	109.087	C2	C1	Cl3	110.516
C2	C1	F5	109.087	C2	C1	F6	109.087
Cl3	C1	F5	109.651	Cl3	C1	F6	109.651
Cl4	C2	F7	109.651	Cl4	C2	F8	109.651
F5	C1	F6	108.819	F7	C2	F8	108.819

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

using model chemistry: CCSD/cc-pVDZ

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

using model chemistry: CCSD/cc-pVDZ

States and conformations

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