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	hartrees
Energy at 0K	-1195.458038
Energy at 298.15K	-1195.461711
HF Energy	-1194.719849
Nuclear repulsion energy	378.125533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3290	3039	0.00
2	A_g	1511	1396	0.00
3	A_g	1432	1323	0.00
4	A_g	1218	1125	0.00
5	A_g	1175	1086	0.00
6	A_g	908	839	0.00
7	A_g	549	507	0.00
8	A_g	401	370	0.00
9	A_g	288	266	0.00
10	A_u	3300	3048	12.90
11	A_u	1422	1314	45.36
12	A_u	1337	1235	38.03
13	A_u	1220	1127	255.32
14	A_u	852	787	209.78
15	A_u	426	394	5.01
16	A_u	392	362	34.17
17	A_u	184	170	1.57
18	A_u	84	77	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.010	0.000	-1.149
H4	-1.010	0.000	1.149
F5	-0.657	-1.104	-1.186
F6	0.657	1.104	1.186
Cl7	-0.831	1.433	-1.358
Cl8	0.831	-1.433	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5171	1.0825	2.1581	1.3542	2.3305	1.7615	2.6876
C2	1.5171		2.1581	1.0825	2.3305	1.3542	2.6876	1.7615
H3	1.0825	2.1581		3.0589	1.9998	2.6064	2.3421	2.8928
H4	2.1581	1.0825	3.0589		2.6064	1.9998	2.8928	2.3421
F5	1.3542	2.3305	1.9998	2.6064		3.4970	2.5490	2.9652
F6	2.3305	1.3542	2.6064	1.9998	3.4970		2.9652	2.5490
Cl7	1.7615	2.6876	2.3421	2.8928	2.5490	2.9652		4.2838
Cl8	2.6876	1.7615	2.8928	2.3421	2.9652	2.5490	4.2838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.129	C1	C2	F6	108.385
C1	C2	Cl8	109.892	C2	C1	H3	111.129
C2	C1	F5	108.385	C2	C1	Cl7	109.892
H3	C1	F5	109.811	H3	C1	Cl7	108.510
H4	C2	F6	109.811	H4	C2	Cl8	108.510
F5	C1	Cl7	109.090	F6	C2	Cl8	109.090

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

using model chemistry: CID/6-31G*

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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