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	hartrees
Energy at 0K	-1753.657859
Energy at 298.15K	-1753.659804
HF Energy	-1752.458045
Nuclear repulsion energy	702.794196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1307	1237	52.85
2	A	1282	1213	161.75
3	A	1199	1135	183.97
4	A	1138	1077	80.56
5	A	974	922	184.71
6	A	859	813	232.04
7	A	668	632	10.48
8	A	547	518	5.22
9	A	477	451	1.47
10	A	457	432	1.19
11	A	407	385	1.52
12	A	364	345	0.50
13	A	325	307	0.52
14	A	302	286	0.13
15	A	254	241	0.12
16	A	207	196	1.25
17	A	172	163	0.71
18	A	79	75	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.151	0.299
C2	-0.721	-0.517	-0.223
F3	0.455	0.241	1.646
Cl4	1.952	-0.882	-0.079
Cl5	0.784	1.760	-0.376
Cl6	-2.159	0.388	0.217
F7	-0.650	-0.642	-1.558
F8	-0.798	-1.747	0.312

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5491	1.3545	1.7621	1.7577	2.7461	2.3619	2.3428
C2	1.5491		2.3346	2.7015	2.7342	1.7559	1.3421	1.3438
F3	1.3545	2.3346		2.5448	2.5502	2.9828	3.5016	2.7017
Cl4	1.7621	2.7015	2.5448		2.9035	4.3132	3.0019	2.9093
Cl5	1.7577	2.7342	2.5502	2.9035		3.3012	3.0372	3.9088
Cl6	2.7461	1.7559	2.9828	4.3132	3.3012		2.5477	2.5346
F7	2.3619	1.3421	3.5016	3.0019	3.0372	2.5477		2.1771
F8	2.3428	1.3438	2.7017	2.9093	3.9088	2.5346	2.1771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.229	C1	C2	F7	109.345
C1	C2	F8	107.948	C2	C1	F3	106.837
C2	C1	Cl4	109.176	C2	C1	Cl5	111.392
F3	C1	Cl4	108.775	F3	C1	Cl5	109.370
Cl4	C1	Cl5	111.162	Cl6	C2	F7	109.928
Cl6	C2	F8	108.985	F7	C2	F8	108.307

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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