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	hartrees
Energy at 0K	-1189.736109
Energy at 298.15K	-1189.739459
HF Energy	-1189.053473
Nuclear repulsion energy	371.273995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	3040	0.00
2	A_g	1447	1377	0.00
3	A_g	1380	1313	0.00
4	A_g	1122	1068	0.00
5	A_g	1063	1012	0.00
6	A_g	822	782	0.00
7	A_g	496	472	0.00
8	A_g	362	344	0.00
9	A_g	271	258	0.00
10	A_u	3210	3054	8.20
11	A_u	1370	1303	29.57
12	A_u	1317	1253	24.05
13	A_u	1133	1078	130.09
14	A_u	756	719	206.37
15	A_u	379	360	5.14
16	A_u	352	335	33.50
17	A_u	166	158	2.67
18	A_u	69	65	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.016	0.000	-1.150
H4	-1.016	0.000	1.150
F5	-0.711	-1.126	-1.204
F6	0.711	1.126	1.204
Cl7	-0.810	1.492	-1.347
Cl8	0.810	-1.492	1.347

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5292	1.0871	2.1680	1.4026	2.3771	1.7945	2.7090
C2	1.5292		2.1680	1.0871	2.3771	1.4026	2.7090	1.7945
H3	1.0871	2.1680		3.0701	2.0629	2.6279	2.3664	2.9159
H4	2.1680	1.0871	3.0701		2.6279	2.0629	2.9159	2.3664
F5	1.4026	2.3771	2.0629	2.6279		3.5912	2.6235	2.9926
F6	2.3771	1.4026	2.6279	2.0629	3.5912		2.9926	2.6235
Cl7	1.7945	2.7090	2.3664	2.9159	2.6235	2.9926		4.3335
Cl8	2.7090	1.7945	2.9159	2.3664	2.9926	2.6235	4.3335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.786	C1	C2	F6	108.272
C1	C2	Cl8	108.923	C2	C1	H3	110.786
C2	C1	F5	108.272	C2	C1	Cl7	108.923
H3	C1	F5	111.273	H3	C1	Cl7	107.880
H4	C2	F6	111.273	H4	C2	Cl8	107.880
F5	C1	Cl7	109.679	F6	C2	Cl8	109.679

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

using model chemistry: MP2/3-21G*

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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