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	hartrees
Energy at 0K	-1754.604045
Energy at 298.15K	-1754.606753
HF Energy	-1752.450716
Nuclear repulsion energy	706.508455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1383	1383	67.12
2	A	1371	1371	219.73
3	A	1282	1282	246.54
4	A	1192	1192	107.34
5	A	1022	1022	230.20
6	A	900	900	305.47
7	A	719	719	14.69
8	A	582	582	4.93
9	A	502	502	1.53
10	A	485	485	1.16
11	A	433	433	1.16
12	A	388	388	0.64
13	A	345	345	0.70
14	A	317	317	0.18
15	A	265	265	0.22
16	A	218	218	1.46
17	A	180	180	0.90
18	A	79	79	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.145	0.302
C2	-0.728	-0.516	-0.226
F3	0.467	0.241	1.617
Cl4	1.946	-0.897	-0.074
Cl5	0.808	1.748	-0.377
Cl6	-2.161	0.395	0.225
F7	-0.668	-0.626	-1.532
F8	-0.816	-1.721	0.292

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5532	1.3230	1.7623	1.7568	2.7484	2.3455	2.3267
C2	1.5532		2.3232	2.7056	2.7399	1.7566	1.3122	1.3145
F3	1.3230	2.3232		2.5177	2.5229	2.9781	3.4577	2.6924
Cl4	1.7623	2.7056	2.5177		2.8951	4.3158	3.0052	2.9053
Cl5	1.7568	2.7399	2.5229	2.8951		3.3181	3.0246	3.8880
Cl6	2.7484	1.7566	2.9781	4.3158	3.3181		2.5221	2.5079
F7	2.3455	1.3122	3.4577	3.0052	3.0246	2.5221		2.1321
F8	2.3267	1.3145	2.6924	2.9053	3.8880	2.5079	2.1321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.132	C1	C2	F7	109.592
C1	C2	F8	108.169	C2	C1	F3	107.480
C2	C1	Cl4	109.219	C2	C1	Cl5	111.593
F3	C1	Cl4	108.541	F3	C1	Cl5	109.200
Cl4	C1	Cl5	110.706	Cl6	C2	F7	109.695
Cl6	C2	F8	108.644	F7	C2	F8	108.526

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: CBS-Q

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 CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)