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	hartrees
Energy at 0K	-1752.475495
Energy at 298.15K	-1752.477719
HF Energy	-1752.475495
Nuclear repulsion energy	706.361353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1379	1247	65.90
2	A	1352	1223	193.91
3	A	1270	1148	230.32
4	A	1196	1081	98.82
5	A	1022	924	214.09
6	A	902	816	283.86
7	A	713	644	12.73
8	A	579	524	5.22
9	A	502	454	1.19
10	A	484	438	1.55
11	A	431	390	1.61
12	A	386	349	0.44
13	A	344	311	0.66
14	A	317	287	0.08
15	A	264	239	0.11
16	A	218	197	1.13
17	A	179	162	0.70
18	A	79	72	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.143	0.298
C2	-0.731	-0.514	-0.217
F3	0.479	0.239	1.619
Cl4	1.947	-0.892	-0.083
Cl5	0.804	1.746	-0.376
Cl6	-2.159	0.401	0.217
F7	-0.671	-0.644	-1.527
F8	-0.823	-1.719	0.313

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5524	1.3286	1.7581	1.7539	2.7511	2.3479	2.3299
C2	1.5524		2.3242	2.7077	2.7361	1.7509	1.3180	1.3195
F3	1.3286	2.3242		2.5172	2.5217	2.9919	3.4647	2.6897
Cl4	1.7581	2.7077	2.5172		2.8909	4.3157	3.0005	2.9172
Cl5	1.7539	2.7361	2.5217	2.8909		3.3079	3.0352	3.8890
Cl6	2.7511	1.7509	2.9919	4.3157	3.3079		2.5197	2.5074
F7	2.3479	1.3180	3.4647	3.0005	3.0352	2.5197		2.1363
F8	2.3299	1.3195	2.6897	2.9172	3.8890	2.5074	2.1363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.641	C1	C2	F7	109.487
C1	C2	F8	108.163	C2	C1	F3	107.301
C2	C1	Cl4	109.597	C2	C1	Cl5	111.550
F3	C1	Cl4	108.472	F3	C1	Cl5	109.003
Cl4	C1	Cl5	110.803	Cl6	C2	F7	109.569
Cl6	C2	F8	108.685	F7	C2	F8	108.185

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

using model chemistry: HF/6-31+G**

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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Number	Element	Mulliken
1	C	0.023
2	C	0.322
3	F	-0.220
4	Cl	0.129
5	Cl	0.126
6	Cl	0.188
7	F	-0.277
8	F	-0.291

	x	y	z	Total
	0.092	0.526	-0.232	0.582
CHELPG
AIM
ESP

	x	y	z
x	9.368	-1.102	-0.544
y	-1.102	8.807	-0.210
z	-0.544	-0.210	6.721

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-31+G**

States and conformations

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