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	hartrees
Energy at 0K	-1756.342211
Energy at 298.15K	-1756.343912
HF Energy	-1756.342211
Nuclear repulsion energy	703.321740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1266	1202	138.44
2	A	1262	1198	117.98
3	A	1188	1128	190.94
4	A	1073	1018	86.82
5	A	909	863	190.04
6	A	813	772	302.49
7	A	660	627	13.49
8	A	535	508	4.47
9	A	462	438	2.14
10	A	438	416	0.20
11	A	392	373	0.23
12	A	349	331	0.39
13	A	309	294	0.59
14	A	286	272	0.18
15	A	238	226	0.14
16	A	189	179	1.11
17	A	160	152	0.89
18	A	65	62	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.154	0.310
C2	-0.714	-0.531	-0.233
F3	0.451	0.247	1.639
Cl4	1.964	-0.870	-0.071
Cl5	0.763	1.764	-0.381
Cl6	-2.160	0.371	0.230
F7	-0.644	-0.627	-1.559
F8	-0.781	-1.757	0.287

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5551	1.3382	1.7693	1.7618	2.7420	2.3623	2.3416
C2	1.5551		2.3384	2.7037	2.7331	1.7665	1.3306	1.3330
F3	1.3382	2.3384		2.5416	2.5454	2.9698	3.4913	2.7130
Cl4	1.7693	2.7037	2.5416		2.9112	4.3170	3.0124	2.9064
Cl5	1.7618	2.7331	2.5454	2.9112		3.2950	3.0138	3.9018
Cl6	2.7420	1.7665	2.9698	4.3170	3.2950		2.5479	2.5363
F7	2.3623	1.3306	3.4913	3.0124	3.0138	2.5479		2.1684
F8	2.3416	1.3330	2.7130	2.9064	3.9018	2.5363	2.1684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.122	C1	C2	F7	109.652
C1	C2	F8	108.099	C2	C1	F3	107.610
C2	C1	Cl4	108.666	C2	C1	Cl5	110.821
F3	C1	Cl4	108.963	F3	C1	Cl5	109.630
Cl4	C1	Cl5	111.064	Cl6	C2	F7	109.904
Cl6	C2	F8	109.024	F7	C2	F8	108.991

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

using model chemistry: B1B95/6-31G*

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	0.010
2	C	0.443
3	F	-0.210
4	Cl	0.069
5	Cl	0.079
6	Cl	0.044
7	F	-0.215
8	F	-0.221

	x	y	z	Total
	0.066	0.178	-0.131	0.230
CHELPG
AIM
ESP

	x	y	z
x	9.024	-1.354	-0.720
y	-1.354	8.236	-0.257
z	-0.720	-0.257	5.789

<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: B1B95/6-31G*

States and conformations

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