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	hartrees
Energy at 0K	-1195.752162
Energy at 298.15K	-1195.755687
HF Energy	-1194.778163
Nuclear repulsion energy	374.797754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3162	3162	0.00
2	A_g	1430	1430	0.00
3	A_g	1330	1330	0.00
4	A_g	1168	1168	0.00
5	A_g	1113	1113	0.00
6	A_g	852	852	0.00
7	A_g	525	525	0.00
8	A_g	382	382	0.00
9	A_g	276	276	0.00
10	A_u	3172	3172	16.35
11	A_u	1340	1340	29.99
12	A_u	1246	1246	42.94
13	A_u	1163	1163	257.93
14	A_u	800	800	187.43
15	A_u	408	408	3.47
16	A_u	371	371	28.82
17	A_u	175	175	1.37
18	A_u	75	75	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	-1.156
H4	-1.028	0.000	1.156
F5	-0.667	-1.099	-1.207
F6	0.667	1.099	1.207
Cl7	-0.820	1.467	-1.357
Cl8	0.820	-1.467	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5290	1.0998	2.1783	1.3598	2.3536	1.7824	2.7070
C2	1.5290		2.1783	1.0998	2.3536	1.3598	2.7070	1.7824
H3	1.0998	2.1783		3.0937	2.0208	2.6310	2.3681	2.9179
H4	2.1783	1.0998	3.0937		2.6310	2.0208	2.9179	2.3681
F5	1.3598	2.3536	2.0208	2.6310		3.5270	2.5755	2.9871
F6	2.3536	1.3598	2.6310	2.0208	3.5270		2.9871	2.5755
Cl7	1.7824	2.7070	2.3681	2.9179	2.5755	2.9871		4.3211
Cl8	2.7070	1.7824	2.9179	2.3681	2.9871	2.5755	4.3211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.864	C1	C2	F6	108.981
C1	C2	Cl8	109.429	C2	C1	H3	110.864
C2	C1	F5	108.981	C2	C1	Cl7	109.429
H3	C1	F5	110.038	H3	C1	Cl7	108.150
H4	C2	F6	110.038	H4	C2	Cl8	108.150
F5	C1	Cl7	109.358	F6	C2	Cl8	109.358

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

using model chemistry: CCSD=FULL/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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