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	hartrees
Energy at 0K	-126.608185
Energy at 298.15K	-126.610336
HF Energy	-126.608185
Nuclear repulsion energy	232.947604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1387	1245	70.30
2	A	1364	1225	233.13
3	A	1282	1151	263.02
4	A	1197	1075	103.20
5	A	1029	924	235.38
6	A	901	809	290.73
7	A	713	640	14.77
8	A	575	516	5.67
9	A	498	448	1.59
10	A	482	433	1.68
11	A	429	385	1.60
12	A	382	343	0.67
13	A	340	306	0.67
14	A	312	280	0.12
15	A	260	233	0.19
16	A	215	193	1.48
17	A	176	158	0.76
18	A	76	69	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.584	0.144	0.304
C2	-0.739	-0.519	-0.222
F3	0.485	0.246	1.628
Cl4	1.959	-0.902	-0.079
Cl5	0.814	1.753	-0.385
Cl6	-2.172	0.407	0.227
F7	-0.681	-0.639	-1.537
F8	-0.835	-1.731	0.302

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5704	1.3315	1.7695	1.7652	2.7703	2.3674	2.3519
C2	1.5704		2.3458	2.7286	2.7566	1.7646	1.3220	1.3239
F3	1.3315	2.3458		2.5304	2.5359	3.0084	3.4871	2.7221
Cl4	1.7695	2.7286	2.5304		2.9079	4.3447	3.0281	2.9393
Cl5	1.7652	2.7566	2.5359	2.9079		3.3325	3.0474	3.9154
Cl6	2.7703	1.7646	3.0084	4.3447	3.3325		2.5352	2.5228
F7	2.3674	1.3220	3.4871	3.0281	3.0474	2.5352		2.1440
F8	2.3519	1.3239	2.7221	2.9393	3.9154	2.5228	2.1440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.209	C1	C2	F7	109.572
C1	C2	F8	108.399	C2	C1	F3	107.590
C2	C1	Cl4	109.421	C2	C1	Cl5	111.336
F3	C1	Cl4	108.546	F3	C1	Cl5	109.148
Cl4	C1	Cl5	110.707	Cl6	C2	F7	109.613
Cl6	C2	F8	108.699	F7	C2	F8	108.257

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.198
2	C	0.386
3	F	-0.173
4	Cl	-0.021
5	Cl	-0.017
6	Cl	-0.048
7	F	-0.162
8	F	-0.165

	x	y	z	Total
	0.109	0.467	-0.264	0.548
CHELPG
AIM
ESP

	x	y	z
x	8.341	-1.428	-0.723
y	-1.428	7.945	-0.175
z	-0.723	-0.175	5.384

<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/CEP-31G*

States and conformations

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