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	hartrees
Energy at 0K	-305.596510
Energy at 298.15K	-305.599678
HF Energy	-305.116201
Nuclear repulsion energy	201.382442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3208	3089	0.00
2	A_g	1399	1348	0.00
3	A_g	1308	1259	0.00
4	A_g	1123	1081	0.00
5	A_g	959	923	0.00
6	A_g	787	758	0.00
7	A_g	473	455	0.00
8	A_g	342	329	0.00
9	A_g	254	245	0.00
10	A_u	3216	3098	10.99
11	A_u	1299	1251	13.56
12	A_u	1260	1213	23.46
13	A_u	982	946	201.67
14	A_u	724	697	140.96
15	A_u	362	349	5.73
16	A_u	352	339	43.96
17	A_u	163	157	2.17
18	A_u	65	63	1.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.771
C2	0.000	0.000	0.771
H3	1.004	0.000	-1.208
H4	-1.004	0.000	1.208
F5	-0.692	-1.197	-1.211
F6	0.692	1.197	1.211
Cl7	-0.928	1.469	-1.423
Cl8	0.928	-1.469	1.423

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5419	1.0950	2.2192	1.4512	2.4167	1.8559	2.7988
C2	1.5419		2.2192	1.0950	2.4167	1.4512	2.7988	1.8559
H3	1.0950	2.2192		3.1417	2.0760	2.7172	2.4363	3.0147
H4	2.2192	1.0950	3.1417		2.7172	2.0760	3.0147	2.4363
F5	1.4512	2.4167	2.0760	2.7172		3.6764	2.6851	3.1043
F6	2.4167	1.4512	2.7172	2.0760	3.6764		3.1043	2.6851
Cl7	1.8559	2.7988	2.4363	3.0147	2.6851	3.1043		4.4919
Cl8	2.7988	1.8559	3.0147	2.4363	3.1043	2.6851	4.4919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.533	C1	C2	F6	107.656
C1	C2	Cl8	110.574	C2	C1	H3	113.533
C2	C1	F5	107.656	C2	C1	Cl7	110.574
H3	C1	F5	108.432	H3	C1	Cl7	108.537
H4	C2	F6	108.432	H4	C2	Cl8	108.537
F5	C1	Cl7	107.945	F6	C2	Cl8	107.945

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: MP2/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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