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	hartrees
Energy at 0K	-1195.733179
Energy at 298.15K	-1195.736698
HF Energy	-1194.778024
Nuclear repulsion energy	374.507988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	2991	0.00
2	A_g	1428	1353	0.00
3	A_g	1328	1258	0.00
4	A_g	1166	1104	0.00
5	A_g	1111	1053	0.00
6	A_g	851	806	0.00
7	A_g	524	496	0.00
8	A_g	381	361	0.00
9	A_g	275	261	0.00
10	A_u	3167	3000	16.36
11	A_u	1338	1268	30.19
12	A_u	1245	1179	43.02
13	A_u	1161	1100	258.03
14	A_u	799	757	188.01
15	A_u	408	386	3.43
16	A_u	371	351	28.93
17	A_u	175	166	1.37
18	A_u	75	71	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.028	0.000	-1.158
H4	-1.028	0.000	1.158
F5	-0.668	-1.099	-1.208
F6	0.668	1.099	1.208
Cl7	-0.821	1.469	-1.358
Cl8	0.821	-1.469	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5304	1.1006	2.1805	1.3604	2.3552	1.7841	2.7094
C2	1.5304		2.1805	1.1006	2.3552	1.3604	2.7094	1.7841
H3	1.1006	2.1805		3.0967	2.0221	2.6330	2.3700	2.9207
H4	2.1805	1.1006	3.0967		2.6330	2.0221	2.9207	2.3700
F5	1.3604	2.3552	2.0221	2.6330		3.5290	2.5773	2.9895
F6	2.3552	1.3604	2.6330	2.0221	3.5290		2.9895	2.5773
Cl7	1.7841	2.7094	2.3700	2.9207	2.5773	2.9895		4.3250
Cl8	2.7094	1.7841	2.9207	2.3700	2.9895	2.5773	4.3250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.884	C1	C2	F6	108.979
C1	C2	Cl8	109.418	C2	C1	H3	110.884
C2	C1	F5	108.979	C2	C1	Cl7	109.418
H3	C1	F5	110.051	H3	C1	Cl7	108.137
H4	C2	F6	110.051	H4	C2	Cl8	108.137
F5	C1	Cl7	109.350	F6	C2	Cl8	109.350

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

using model chemistry: CCSD/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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