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	hartrees
Energy at 0K	-1752.952058
Energy at 298.15K	-1752.953566
HF Energy	-1752.245455
Nuclear repulsion energy	678.211888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1233	1183	38.16
2	A	1200	1152	110.60
3	A	1113	1068	126.62
4	A	1049	1006	67.95
5	A	866	831	136.25
6	A	768	737	208.95
7	A	602	578	12.07
8	A	499	479	6.75
9	A	425	408	2.79
10	A	409	392	1.96
11	A	369	354	2.74
12	A	333	320	1.27
13	A	303	291	0.75
14	A	275	264	0.35
15	A	233	223	0.37
16	A	195	187	2.31
17	A	159	152	1.28
18	A	71	68	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.146	0.302
C2	-0.710	-0.534	-0.239
F3	0.433	0.228	1.698
Cl4	2.051	-0.890	-0.069
Cl5	0.777	1.850	-0.366
Cl6	-2.254	0.351	0.232
F7	-0.639	-0.615	-1.628
F8	-0.781	-1.830	0.270

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5434	1.4047	1.8488	1.8425	2.8277	2.3992	2.3913
C2	1.5434		2.3751	2.7895	2.8121	1.8404	1.3934	1.3947
F3	1.4047	2.3751		2.6440	2.6472	3.0636	3.5954	2.7843
Cl4	1.8488	2.7895	2.6440		3.0365	4.4905	3.1218	3.0033
Cl5	1.8425	2.8121	2.6472	3.0365		3.4336	3.1101	4.0464
Cl6	2.8277	1.8404	3.0636	4.4905	3.4336		2.6460	2.6321
F7	2.3992	1.3934	3.5954	3.1218	3.1101	2.6460		2.2583
F8	2.3913	1.3947	2.7843	3.0033	4.0464	2.6321	2.2583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.079	C1	C2	F7	109.458
C1	C2	F8	108.857	C2	C1	F3	107.257
C2	C1	Cl4	110.318	C2	C1	Cl5	112.005
F3	C1	Cl4	107.939	F3	C1	Cl5	108.468
Cl4	C1	Cl5	110.690	Cl6	C2	F7	109.031
Cl6	C2	F8	108.108	F7	C2	F8	108.188

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-)