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	hartrees
Energy at 0K	-1753.407516
Energy at 298.15K	-1753.409643
HF Energy	-1752.459655
Nuclear repulsion energy	707.220180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1363	1259	58.75
2	A	1338	1236	183.60
3	A	1254	1158	204.38
4	A	1184	1093	93.65
5	A	1013	935	205.41
6	A	892	824	259.66
7	A	696	643	11.91
8	A	568	525	5.63
9	A	495	458	1.57
10	A	475	438	1.30
11	A	423	391	1.67
12	A	378	349	0.60
13	A	337	311	0.57
14	A	313	289	0.14
15	A	263	243	0.15
16	A	215	198	1.34
17	A	178	165	0.77
18	A	81	75	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.148	0.298
C2	-0.720	-0.513	-0.223
F3	0.455	0.237	1.629
Cl4	1.940	-0.882	-0.078
Cl5	0.789	1.748	-0.373
Cl6	-2.150	0.389	0.217
F7	-0.652	-0.634	-1.544
F8	-0.799	-1.730	0.306

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5430	1.3395	1.7532	1.7484	2.7347	2.3458	2.3258
C2	1.5430		2.3187	2.6901	2.7234	1.7471	1.3278	1.3297
F3	1.3395	2.3187		2.5245	2.5303	2.9673	3.4716	2.6819
Cl4	1.7532	2.6901	2.5245		2.8866	4.2937	2.9882	2.8927
Cl5	1.7484	2.7234	2.5303	2.8866		3.2921	3.0209	3.8839
Cl6	2.7347	1.7471	2.9673	4.2937	3.2921		2.5284	2.5152
F7	2.3458	1.3278	3.4716	2.9882	3.0209	2.5284		2.1556
F8	2.3258	1.3297	2.6819	2.8927	3.8839	2.5152	2.1556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.294	C1	C2	F7	109.366
C1	C2	F8	107.888	C2	C1	F3	106.894
C2	C1	Cl4	109.227	C2	C1	Cl5	111.518
F3	C1	Cl4	108.687	F3	C1	Cl5	109.340
Cl4	C1	Cl5	111.048	Cl6	C2	F7	109.872
Cl6	C2	F8	108.913	F7	C2	F8	108.412

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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