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	hartrees
Energy at 0K	-1743.848027
Energy at 298.15K	-1743.849847
HF Energy	-1743.848027
Nuclear repulsion energy	691.852639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1398	1266	143.21
2	A	1347	1220	67.80
3	A	1279	1159	172.28
4	A	1126	1020	81.48
5	A	926	839	177.03
6	A	824	747	280.19
7	A	661	599	20.22
8	A	535	484	5.65
9	A	449	406	4.37
10	A	424	384	0.47
11	A	386	350	2.19
12	A	346	313	2.39
13	A	318	288	0.80
14	A	290	262	0.48
15	A	246	223	0.97
16	A	206	186	3.46
17	A	170	154	2.40
18	A	72	65	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.144	0.326
C2	-0.680	-0.539	-0.273
F3	0.382	0.226	1.668
Cl4	2.025	-0.868	-0.028
Cl5	0.748	1.817	-0.367
Cl6	-2.216	0.305	0.265
F7	-0.603	-0.517	-1.612
F8	-0.736	-1.814	0.153

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5189	1.3532	1.8328	1.8232	2.7596	2.3442	2.3420
C2	1.5189		2.3404	2.7355	2.7558	1.8337	1.3415	1.3456
F3	1.3532	2.3404		2.6025	2.6087	2.9533	3.5042	2.7758
Cl4	1.8328	2.7355	2.6025		2.9918	4.4100	3.0887	2.9244
Cl5	1.8232	2.7558	2.6087	2.9918		3.3868	2.9697	3.9564
Cl6	2.7596	1.8337	2.9533	4.4100	3.3868		2.6078	2.5870
F7	2.3442	1.3415	3.5042	3.0887	2.9697	2.6078		2.1947
F8	2.3420	1.3456	2.7758	2.9244	3.9564	2.5870	2.1947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.443	C1	C2	F7	109.921
C1	C2	F8	109.542	C2	C1	F3	109.013
C2	C1	Cl4	109.042	C2	C1	Cl5	110.762
F3	C1	Cl4	108.607	F3	C1	Cl5	109.540
Cl4	C1	Cl5	109.837	Cl6	C2	F7	109.448
Cl6	C2	F8	107.935	F7	C2	F8	109.521

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.089
2	C	0.621
3	F	-0.320
4	Cl	0.167
5	Cl	0.171
6	Cl	0.129
7	F	-0.339
8	F	-0.339

	x	y	z	Total
	0.189	0.258	-0.254	0.408
CHELPG
AIM
ESP

	x	y	z
x	8.033	-1.897	-1.065
y	-1.897	7.242	-0.392
z	-1.065	-0.392	4.275

<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/3-21G

States and conformations

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