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	hartrees
Energy at 0K	-1744.560725
Energy at 298.15K	-1744.562073
HF Energy	-1743.843228
Nuclear repulsion energy	678.593717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1283	1243	109.63
2	A	1234	1196	52.18
3	A	1174	1138	135.46
4	A	1022	991	58.81
5	A	830	804	136.82
6	A	740	717	234.62
7	A	608	589	17.49
8	A	489	474	4.64
9	A	404	392	4.38
10	A	380	368	0.13
11	A	350	340	0.84
12	A	314	304	1.65
13	A	291	282	0.64
14	A	263	255	0.40
15	A	224	217	0.91
16	A	190	184	2.61
17	A	155	150	2.10
18	A	64	62	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	0.147	0.346
C2	-0.674	-0.555	-0.292
F3	0.363	0.226	1.709
Cl4	2.073	-0.868	-0.017
Cl5	0.740	1.858	-0.371
Cl6	-2.262	0.285	0.277
F7	-0.592	-0.498	-1.655
F8	-0.719	-1.863	0.121

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5359	1.3764	1.8781	1.8666	2.8005	2.3847	2.3792
C2	1.5359		2.3848	2.7782	2.7977	1.8840	1.3667	1.3721
F3	1.3764	2.3848		2.6645	2.6706	2.9903	3.5708	2.8385
Cl4	1.8781	2.7782	2.6645		3.0546	4.4948	3.1501	2.9672
Cl5	1.8666	2.7977	2.6706	3.0546		3.4505	2.9951	4.0268
Cl6	2.8005	1.8840	2.9903	4.4948	3.4505		2.6702	2.6489
F7	2.3847	1.3667	3.5708	3.1501	2.9951	2.6702		2.2433
F8	2.3792	1.3721	2.8385	2.9672	4.0268	2.6489	2.2433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.525	C1	C2	F7	110.349
C1	C2	F8	109.674	C2	C1	F3	109.826
C2	C1	Cl4	108.516	C2	C1	Cl5	110.248
F3	C1	Cl4	108.941	F3	C1	Cl5	109.960
Cl4	C1	Cl5	109.317	Cl6	C2	F7	109.426
Cl6	C2	F8	107.844	F7	C2	F8	109.981

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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