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	hartrees
Energy at 0K	-1753.805855
Energy at 298.15K	-1753.807778
HF Energy	-1752.542058
Nuclear repulsion energy	700.140417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1294	1238	55.40
2	A	1274	1219	204.49
3	A	1191	1139	207.52
4	A	1106	1058	87.28
5	A	944	904	177.09
6	A	839	802	245.44
7	A	669	640	10.74
8	A	543	519	3.74
9	A	470	449	1.22
10	A	453	433	0.90
11	A	404	387	0.85
12	A	360	345	0.51
13	A	322	308	0.54
14	A	296	283	0.13
15	A	249	238	0.16
16	A	203	195	1.27
17	A	169	161	0.77
18	A	75	71	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.150	0.312
C2	-0.723	-0.527	-0.231
F3	0.459	0.247	1.650
Cl4	1.970	-0.881	-0.072
Cl5	0.781	1.764	-0.385
Cl6	-2.170	0.383	0.230
F7	-0.653	-0.628	-1.561
F8	-0.803	-1.759	0.285

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5603	1.3460	1.7772	1.7713	2.7548	2.3702	2.3539
C2	1.5603		2.3525	2.7201	2.7450	1.7709	1.3351	1.3381
F3	1.3460	2.3525		2.5534	2.5589	2.9907	3.5085	2.7353
Cl4	1.7772	2.7201	2.5534		2.9176	4.3388	3.0263	2.9303
Cl5	1.7713	2.7450	2.5589	2.9176		3.3153	3.0264	3.9210
Cl6	2.7548	1.7709	2.9907	4.3388	3.3153		2.5554	2.5417
F7	2.3702	1.3351	3.5085	3.0263	3.0264	2.5554		2.1700
F8	2.3539	1.3381	2.7353	2.9303	3.9210	2.5417	2.1700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.424	C1	C2	F7	109.643
C1	C2	F8	108.365	C2	C1	F3	107.857
C2	C1	Cl4	109.005	C2	C1	Cl5	110.807
F3	C1	Cl4	108.901	F3	C1	Cl5	109.592
Cl4	C1	Cl5	110.613	Cl6	C2	F7	109.928
Cl6	C2	F8	108.883	F7	C2	F8	108.533

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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