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	hartrees
Energy at 0K	-127.827957
Energy at 298.15K	-127.829760
HF Energy	-126.611439
Nuclear repulsion energy	230.737465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1250	1191	51.09
2	A	1188	1132	193.14
3	A	1122	1069	210.94
4	A	1082	1031	82.96
5	A	943	899	206.99
6	A	839	799	242.52
7	A	652	621	9.26
8	A	532	506	4.27
9	A	465	443	0.97
10	A	447	426	0.96
11	A	397	378	1.09
12	A	352	335	0.30
13	A	314	299	0.53
14	A	291	277	0.05
15	A	244	233	0.09
16	A	201	191	1.17
17	A	166	158	0.63
18	A	74	70	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.152	0.301
C2	-0.731	-0.526	-0.220
F3	0.479	0.259	1.659
Cl4	1.975	-0.883	-0.080
Cl5	0.776	1.768	-0.393
Cl6	-2.169	0.395	0.228
F7	-0.667	-0.657	-1.567
F8	-0.815	-1.770	0.314

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5717	1.3666	1.7730	1.7687	2.7678	2.3910	2.3791
C2	1.5717		2.3692	2.7337	2.7503	1.7652	1.3545	1.3564
F3	1.3666	2.3692		2.5625	2.5648	3.0130	3.5439	2.7564
Cl4	1.7730	2.7337	2.5625		2.9265	4.3478	3.0408	2.9542
Cl5	1.7687	2.7503	2.5648	2.9265		3.3082	3.0560	3.9430
Cl6	2.7678	1.7652	3.0130	4.3478	3.3082		2.5658	2.5548
F7	2.3910	1.3545	3.5439	3.0408	3.0560	2.5658		2.1909
F8	2.3791	1.3564	2.7564	2.9542	3.9430	2.5548	2.1909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.954	C1	C2	F7	109.368
C1	C2	F8	108.462	C2	C1	F3	107.266
C2	C1	Cl4	109.490	C2	C1	Cl5	110.706
F3	C1	Cl4	108.718	F3	C1	Cl5	109.106
Cl4	C1	Cl5	111.441	Cl6	C2	F7	109.961
Cl6	C2	F8	109.154	F7	C2	F8	107.840

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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