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	hartrees
Energy at 0K	-1195.909876
Energy at 298.15K	-1195.913416
HF Energy	-1194.748110
Nuclear repulsion energy	377.286429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	2995	0.00
2	A_g	1447	1368	0.00
3	A_g	1350	1277	0.00
4	A_g	1184	1119	0.00
5	A_g	1126	1065	0.00
6	A_g	859	812	0.00
7	A_g	531	502	0.00
8	A_g	384	363	0.00
9	A_g	275	260	0.00
10	A_u	3180	3006	9.28
11	A_u	1368	1293	25.51
12	A_u	1260	1191	38.20
13	A_u	1194	1129	218.90
14	A_u	809	765	192.30
15	A_u	409	387	3.15
16	A_u	370	350	25.88
17	A_u	174	164	1.08
18	A_u	78	74	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.017	0.000	-1.154
H4	-1.017	0.000	1.154
F5	-0.669	-1.082	-1.199
F6	0.669	1.082	1.199
Cl7	-0.813	1.467	-1.342
Cl8	0.813	-1.467	1.342

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5242	1.0896	2.1689	1.3453	2.3379	1.7748	2.6910
C2	1.5242		2.1689	1.0896	2.3379	1.3453	2.6910	1.7748
H3	1.0896	2.1689		3.0757	2.0039	2.6130	2.3532	2.9021
H4	2.1689	1.0896	3.0757		2.6130	2.0039	2.9021	2.3532
F5	1.3453	2.3379	2.0039	2.6130		3.4968	2.5572	2.9672
F6	2.3379	1.3453	2.6130	2.0039	3.4968		2.9672	2.5572
Cl7	1.7748	2.6910	2.3532	2.9021	2.5572	2.9672		4.2965
Cl8	2.6910	1.7748	2.9021	2.3532	2.9672	2.5572	4.2965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.059	C1	C2	F6	108.959
C1	C2	Cl8	109.073	C2	C1	H3	111.059
C2	C1	F5	108.959	C2	C1	Cl7	109.073
H3	C1	F5	110.332	H3	C1	Cl7	108.075
H4	C2	F6	110.332	H4	C2	Cl8	108.075
F5	C1	Cl7	109.313	F6	C2	Cl8	109.313

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

using model chemistry: CCSD/6-31G(2df,p)

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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