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	hartrees
Energy at 0K	-1195.792294
Energy at 298.15K	-1195.795757
HF Energy	-1194.806793
Nuclear repulsion energy	373.809445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3165	3036	0.00
2	A_g	1393	1336	0.00
3	A_g	1304	1251	0.00
4	A_g	1144	1097	0.00
5	A_g	1059	1015	0.00
6	A_g	839	804	0.00
7	A_g	512	491	0.00
8	A_g	375	360	0.00
9	A_g	271	260	0.00
10	A_u	3176	3046	6.60
11	A_u	1304	1251	14.01
12	A_u	1230	1180	31.82
13	A_u	1088	1044	235.13
14	A_u	794	762	202.81
15	A_u	401	385	3.38
16	A_u	367	352	26.39
17	A_u	171	164	0.78
18	A_u	74	71	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.019	0.000	-1.174
H4	-1.019	0.000	1.174
F5	-0.674	-1.120	-1.204
F6	0.674	1.120	1.204
Cl7	-0.847	1.450	-1.356
Cl8	0.847	-1.450	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5278	1.0982	2.1893	1.3795	2.3625	1.7807	2.7042
C2	1.5278		2.1893	1.0982	2.3625	1.3795	2.7042	1.7807
H3	1.0982	2.1893		3.1087	2.0303	2.6509	2.3701	2.9208
H4	2.1893	1.0982	3.1087		2.6509	2.0303	2.9208	2.3701
F5	1.3795	2.3625	2.0303	2.6509		3.5545	2.5808	2.9955
F6	2.3625	1.3795	2.6509	2.0303	3.5545		2.9955	2.5808
Cl7	1.7807	2.7042	2.3701	2.9208	2.5808	2.9955		4.3166
Cl8	2.7042	1.7807	2.9208	2.3701	2.9955	2.5808	4.3166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.922	C1	C2	F6	108.595
C1	C2	Cl8	109.408	C2	C1	H3	111.922
C2	C1	F5	108.595	C2	C1	Cl7	109.408
H3	C1	F5	109.533	H3	C1	Cl7	108.493
H4	C2	F6	109.533	H4	C2	Cl8	108.493
F5	C1	Cl7	108.842	F6	C2	Cl8	108.842

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

using model chemistry: MP2/aug-cc-pVDZ

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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