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	hartrees
Energy at 0K	-1744.548015
Energy at 298.15K	-1744.549421
HF Energy	-1743.844294
Nuclear repulsion energy	680.197540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1298	1262	108.85
2	A	1247	1213	53.73
3	A	1187	1154	134.29
4	A	1037	1009	57.10
5	A	845	822	130.29
6	A	751	730	222.39
7	A	614	597	17.25
8	A	495	481	4.67
9	A	409	398	4.09
10	A	385	375	0.23
11	A	354	345	1.04
12	A	317	308	1.73
13	A	294	286	0.64
14	A	266	258	0.39
15	A	226	220	0.86
16	A	191	186	2.62
17	A	157	152	1.97
18	A	65	63	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	0.146	0.342
C2	-0.675	-0.553	-0.290
F3	0.365	0.226	1.704
Cl4	2.067	-0.868	-0.018
Cl5	0.741	1.853	-0.370
Cl6	-2.256	0.286	0.276
F7	-0.594	-0.499	-1.650
F8	-0.720	-1.857	0.124

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5338	1.3741	1.8720	1.8611	2.7959	2.3793	2.3743
C2	1.5338		2.3790	2.7729	2.7927	1.8775	1.3638	1.3691
F3	1.3741	2.3790		2.6566	2.6629	2.9853	3.5624	2.8301
Cl4	1.8720	2.7729	2.6566		3.0479	4.4841	3.1429	2.9604
Cl5	1.8611	2.7927	2.6629	3.0479		3.4429	2.9921	4.0180
Cl6	2.7959	1.8775	2.9853	4.4841	3.4429		2.6626	2.6413
F7	2.3793	1.3638	3.5624	3.1429	2.9921	2.6626		2.2377
F8	2.3743	1.3691	2.8301	2.9604	4.0180	2.6413	2.2377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.679	C1	C2	F7	110.262
C1	C2	F8	109.621	C2	C1	F3	109.672
C2	C1	Cl4	108.602	C2	C1	Cl5	110.321
F3	C1	Cl4	108.882	F3	C1	Cl5	109.875
Cl4	C1	Cl5	109.458	Cl6	C2	F7	109.440
Cl6	C2	F8	107.869	F7	C2	F8	109.930

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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