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	hartrees
Energy at 0K	-418.048844
Energy at 298.15K	-418.050707
HF Energy	-418.048844
Nuclear repulsion energy	344.761435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1316	1185	52.14
2	A	1253	1127	191.84
3	A	1183	1064	206.69
4	A	1119	1007	78.84
5	A	951	856	173.52
6	A	842	757	232.22
7	A	652	587	13.49
8	A	538	484	8.07
9	A	463	416	3.43
10	A	442	398	3.48
11	A	400	360	4.26
12	A	359	323	2.10
13	A	323	291	0.62
14	A	297	267	0.41
15	A	251	226	0.52
16	A	208	187	3.37
17	A	170	153	1.51
18	A	73	66	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.141	0.304
C2	-0.720	-0.522	-0.228
F3	0.458	0.240	1.672
Cl4	2.014	-0.889	-0.070
Cl5	0.786	1.800	-0.379
Cl6	-2.216	0.371	0.236
F7	-0.654	-0.615	-1.590
F8	-0.807	-1.793	0.269

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5461	1.3768	1.8108	1.8066	2.7988	2.3797	2.3758
C2	1.5461		2.3619	2.7622	2.7712	1.8036	1.3668	1.3679
F3	1.3768	2.3619		2.5944	2.5976	3.0388	3.5514	2.7756
Cl4	1.8108	2.7622	2.5944		2.9721	4.4244	3.0827	2.9815
Cl5	1.8066	2.7712	2.5976	2.9721		3.3812	3.0618	3.9834
Cl6	2.7988	1.8036	3.0388	4.4244	3.3812		2.5974	2.5829
F7	2.3797	1.3668	3.5514	3.0827	3.0618	2.5974		2.2062
F8	2.3758	1.3679	2.7756	2.9815	3.9834	2.5829	2.2062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.119	C1	C2	F7	109.406
C1	C2	F8	109.083	C2	C1	F3	107.675
C2	C1	Cl4	110.494	C2	C1	Cl5	111.256
F3	C1	Cl4	108.186	F3	C1	Cl5	108.623
Cl4	C1	Cl5	110.494	Cl6	C2	F7	109.246
Cl6	C2	F8	108.276	F7	C2	F8	107.556

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

using model chemistry: HF/LANL2DZ

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	0.004
2	C	0.474
3	F	-0.242
4	Cl	0.100
5	Cl	0.088
6	Cl	0.079
7	F	-0.251
8	F	-0.251

	x	y	z	Total
	0.147	0.739	-0.303	0.812
CHELPG
AIM
ESP

	x	y	z
x	7.159	-1.837	-0.992
y	-1.837	7.024	-0.303
z	-0.992	-0.303	4.235

<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/LANL2DZ

States and conformations

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