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	hartrees
Energy at 0K	-1195.824087
Energy at 298.15K	-1195.827590
HF Energy	-1194.807410
Nuclear repulsion energy	373.643081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3046	0.00
2	A_g	1416	1366	0.00
3	A_g	1323	1276	0.00
4	A_g	1154	1113	0.00
5	A_g	1093	1054	0.00
6	A_g	849	818	0.00
7	A_g	519	500	0.00
8	A_g	380	366	0.00
9	A_g	272	263	0.00
10	A_u	3168	3056	7.07
11	A_u	1323	1276	17.89
12	A_u	1243	1199	34.65
13	A_u	1126	1086	232.37
14	A_u	801	773	186.01
15	A_u	406	392	4.12
16	A_u	371	358	27.00
17	A_u	172	166	0.79
18	A_u	74	71	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.766
C2	0.000	0.000	0.766
H3	1.021	0.000	-1.172
H4	-1.021	0.000	1.172
F5	-0.671	-1.114	-1.205
F6	0.671	1.114	1.205
Cl7	-0.844	1.452	-1.366
Cl8	0.844	-1.452	1.366

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5312	1.0985	2.1898	1.3723	2.3608	1.7838	2.7139
C2	1.5312		2.1898	1.0985	2.3608	1.3723	2.7139	1.7838
H3	1.0985	2.1898		3.1079	2.0254	2.6479	2.3716	2.9291
H4	2.1898	1.0985	3.1079		2.6479	2.0254	2.9291	2.3716
F5	1.3723	2.3608	2.0254	2.6479		3.5452	2.5766	3.0033
F6	2.3608	1.3723	2.6479	2.0254	3.5452		3.0033	2.5766
Cl7	1.7838	2.7139	2.3716	2.9291	2.5766	3.0033		4.3300
Cl8	2.7139	1.7838	2.9291	2.3716	3.0033	2.5766	4.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.698	C1	C2	F6	108.674
C1	C2	Cl8	109.668	C2	C1	H3	111.698
C2	C1	F5	108.674	C2	C1	Cl7	109.668
H3	C1	F5	109.621	H3	C1	Cl7	108.382
H4	C2	F6	109.621	H4	C2	Cl8	108.382
F5	C1	Cl7	108.753	F6	C2	Cl8	108.753

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

using model chemistry: CCD/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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