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	hartrees
Energy at 0K	-1195.138111
Energy at 298.15K	-1195.141258
HF Energy	-1194.623503
Nuclear repulsion energy	359.693908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3203	3092	0.00
2	A_g	1397	1349	0.00
3	A_g	1303	1258	0.00
4	A_g	1121	1082	0.00
5	A_g	958	925	0.00
6	A_g	778	751	0.00
7	A_g	471	455	0.00
8	A_g	338	327	0.00
9	A_g	252	244	0.00
10	A_u	3211	3100	9.67
11	A_u	1297	1252	11.87
12	A_u	1257	1214	27.73
13	A_u	981	947	195.59
14	A_u	715	690	141.09
15	A_u	357	345	6.57
16	A_u	351	339	40.47
17	A_u	162	156	1.93
18	A_u	66	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	-0.694	-1.195	-1.212
F6	0.694	1.195	1.212
Cl7	-0.934	1.478	-1.424
Cl8	0.934	-1.478	1.424

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5411	1.0953	2.2189	1.4511	2.4171	1.8664	2.8057
C2	1.5411		2.2189	1.0953	2.4171	1.4511	2.8057	1.8664
H3	1.0953	2.2189		3.1418	2.0767	2.7173	2.4468	3.0194
H4	2.2189	1.0953	3.1418		2.7173	2.0767	3.0194	2.4468
F5	1.4511	2.4171	2.0767	2.7173		3.6772	2.6925	3.1112
F6	2.4171	1.4511	2.7173	2.0767	3.6772		3.1112	2.6925
Cl7	1.8664	2.8057	2.4468	3.0194	2.6925	3.1112		4.5096
Cl8	2.8057	1.8664	3.0194	2.4468	3.1112	2.6925	4.5096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.547	C1	C2	F6	107.727
C1	C2	Cl8	110.487	C2	C1	H3	113.547
C2	C1	F5	107.727	C2	C1	Cl7	110.487
H3	C1	F5	108.474	H3	C1	Cl7	108.591
H4	C2	F6	108.474	H4	C2	Cl8	108.591
F5	C1	Cl7	107.846	F6	C2	Cl8	107.846

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

using model chemistry: MP2/SDD

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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