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	hartrees
Energy at 0K	-1736.068925
Energy at 298.15K	-1736.069793
HF Energy	-1736.068925
Nuclear repulsion energy	673.027257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1397	1228	43.88
2	A	1353	1189	111.77
3	A	1247	1096	115.02
4	A	1022	899	20.88
5	A	925	813	163.25
6	A	793	697	228.53
7	A	642	564	19.53
8	A	506	444	13.92
9	A	438	385	4.62
10	A	412	362	0.34
11	A	373	328	0.43
12	A	319	280	2.87
13	A	278	245	0.89
14	A	254	223	0.46
15	A	205	180	0.73
16	A	168	147	2.44
17	A	132	116	2.02
18	A	38	33	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.156	0.376
C2	-0.737	-0.551	-0.328
F3	0.409	0.321	1.710
Cl4	2.030	-0.963	0.042
Cl5	0.858	1.794	-0.455
Cl6	-2.248	0.346	0.378
F7	-0.704	-0.405	-1.686
F8	-0.804	-1.877	0.011

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.6465	1.3548	1.8670	1.8583	2.8280	2.4892	2.4827
C2	1.6465		2.4954	2.8215	2.8385	1.8939	1.3665	1.3704
F3	1.3548	2.4954		2.6567	2.6573	2.9732	3.6471	3.0315
Cl4	1.8670	2.8215	2.6567		3.0367	4.4867	3.2815	2.9777
Cl5	1.8583	2.8385	2.6573	3.0367		3.5266	2.9648	4.0565
Cl6	2.8280	1.8939	2.9732	4.4867	3.5266		2.6850	2.6766
F7	2.4892	1.3665	3.6471	3.2815	2.9648	2.6850		2.2485
F8	2.4827	1.3704	3.0315	2.9777	4.0565	2.6766	2.2485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	105.818	C1	C2	F7	111.070
C1	C2	F8	110.426	C2	C1	F3	112.126
C2	C1	Cl4	106.680	C2	C1	Cl5	108.019
F3	C1	Cl4	110.081	F3	C1	Cl5	110.605
Cl4	C1	Cl5	109.205	Cl6	C2	F7	109.822
Cl6	C2	F8	109.110	F7	C2	F8	110.475

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

using model chemistry: mPW1PW91/STO-3G

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	0.184
2	C	0.272
3	F	-0.004
4	Cl	-0.117
5	Cl	-0.104
6	Cl	-0.166
7	F	-0.030
8	F	-0.035

	x	y	z	Total
	-0.043	-1.224	0.219	1.244
CHELPG
AIM
ESP

	x	y	z
x	5.176	-1.315	-0.942
y	-1.315	4.916	-0.268
z	-0.942	-0.268	3.026

<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: mPW1PW91/STO-3G

States and conformations

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