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	hartrees
Energy at 0K	-1756.192846
Energy at 298.15K	-1756.194243
HF Energy	-1756.192846
Nuclear repulsion energy	687.534132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1162	1153	116.34
2	A	1154	1145	136.04
3	A	1098	1089	172.77
4	A	973	965	75.42
5	A	815	809	177.74
6	A	732	727	336.11
7	A	619	614	13.95
8	A	502	498	3.81
9	A	422	419	3.74
10	A	399	396	0.51
11	A	362	359	1.05
12	A	330	327	0.19
13	A	297	295	0.84
14	A	272	270	0.26
15	A	229	227	0.13
16	A	189	188	0.92
17	A	155	154	0.82
18	A	65	64	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.577	0.151	0.320
C2	-0.729	-0.538	-0.243
F3	0.461	0.247	1.668
Cl4	2.009	-0.903	-0.067
Cl5	0.803	1.802	-0.386
Cl6	-2.221	0.382	0.239
F7	-0.664	-0.621	-1.591
F8	-0.811	-1.788	0.276

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5799	1.3569	1.8198	1.8090	2.8082	2.4054	2.3855
C2	1.5799		2.3840	2.7679	2.7999	1.8175	1.3522	1.3560
F3	1.3569	2.3840		2.5942	2.5986	3.0419	3.5553	2.7751
Cl4	1.8198	2.7679	2.5942		2.9782	4.4313	3.0900	2.9762
Cl5	1.8090	2.7999	2.5986	2.9782		3.3979	3.0775	3.9912
Cl6	2.8082	1.8175	3.0419	4.4313	3.3979		2.6030	2.5880
F7	2.4054	1.3522	3.5553	3.0900	3.0775	2.6030		2.2062
F8	2.3855	1.3560	2.7751	2.9762	3.9912	2.5880	2.2062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.305	C1	C2	F7	109.998
C1	C2	F8	108.450	C2	C1	F3	108.299
C2	C1	Cl4	108.806	C2	C1	Cl5	111.238
F3	C1	Cl4	108.621	F3	C1	Cl5	109.501
Cl4	C1	Cl5	110.312	Cl6	C2	F7	109.538
Cl6	C2	F8	108.397	F7	C2	F8	109.103

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

using model chemistry: BLYP/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	0.054
2	C	0.434
3	F	-0.184
4	Cl	0.032
5	Cl	0.045
6	Cl	0.008
7	F	-0.191
8	F	-0.198

	x	y	z	Total
	0.051	0.024	-0.061	0.083
CHELPG
AIM
ESP

	x	y	z
x	9.773	-1.501	-0.828
y	-1.501	8.809	-0.289
z	-0.828	-0.289	6.072

<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/6-31G**

States and conformations

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