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	hartrees
Energy at 0K	-1756.228618
Energy at 298.15K	-1756.229988
HF Energy	-1756.228618
Nuclear repulsion energy	686.567028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1115	1109	61.41
2	A	1083	1077	213.33
3	A	1031	1025	174.89
4	A	953	948	82.41
5	A	814	810	177.92
6	A	736	732	318.93
7	A	609	606	11.03
8	A	498	495	2.76
9	A	423	421	2.01
10	A	403	401	0.08
11	A	363	361	0.41
12	A	330	328	0.03
13	A	295	294	0.83
14	A	272	270	0.09
15	A	227	226	0.04
16	A	189	188	0.72
17	A	154	153	0.57
18	A	65	65	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.590	0.150	0.308
C2	-0.741	-0.531	-0.222
F3	0.493	0.253	1.672
Cl4	2.006	-0.907	-0.085
Cl5	0.806	1.798	-0.390
Cl6	-2.216	0.403	0.226
F7	-0.682	-0.662	-1.579
F8	-0.836	-1.781	0.320

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5863	1.3713	1.8098	1.8032	2.8188	2.4161	2.4004
C2	1.5863		2.3931	2.7754	2.8012	1.8033	1.3638	1.3660
F3	1.3713	2.3931		2.5922	2.5962	3.0748	3.5758	2.7805
Cl4	1.8098	2.7754	2.5922		2.9749	4.4315	3.0845	3.0005
Cl5	1.8032	2.8012	2.5962	2.9749		3.3850	3.1112	4.0015
Cl6	2.8188	1.8033	3.0748	4.4315	3.3850		2.5976	2.5859
F7	2.4161	1.3638	3.5758	3.0845	3.1112	2.5976		2.2094
F8	2.4004	1.3660	2.7805	3.0005	4.0015	2.5859	2.2094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.371	C1	C2	F7	109.737
C1	C2	F8	108.564	C2	C1	F3	107.805
C2	C1	Cl4	109.442	C2	C1	Cl5	111.304
F3	C1	Cl4	108.366	F3	C1	Cl5	108.977
Cl4	C1	Cl5	110.851	Cl6	C2	F7	109.423
Cl6	C2	F8	108.572	F7	C2	F8	108.070

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

using model chemistry: BLYP/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	-0.133
2	C	0.175
3	F	-0.137
4	Cl	0.136
5	Cl	0.160
6	Cl	0.171
7	F	-0.175
8	F	-0.197

	x	y	z	Total
	0.113	0.469	-0.182	0.515
CHELPG
AIM
ESP

	x	y	z
x	11.483	-1.300	-0.671
y	-1.300	10.634	-0.257
z	-0.671	-0.257	8.166

<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: BLYP/6-31+G**

States and conformations

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