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	hartrees
Energy at 0K	-1195.595363
Energy at 298.15K	-1195.598926
HF Energy	-1194.721804
Nuclear repulsion energy	376.489342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3213	3009	0.00
2	A_g	1448	1356	0.00
3	A_g	1381	1293	0.00
4	A_g	1169	1095	0.00
5	A_g	1122	1050	0.00
6	A_g	879	823	0.00
7	A_g	528	495	0.00
8	A_g	386	361	0.00
9	A_g	280	262	0.00
10	A_u	3224	3019	15.14
11	A_u	1368	1281	41.21
12	A_u	1291	1209	33.50
13	A_u	1154	1081	224.21
14	A_u	824	772	195.65
15	A_u	410	384	4.05
16	A_u	376	352	30.50
17	A_u	179	167	1.42
18	A_u	82	77	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.015	0.000	-1.150
H4	-1.015	0.000	1.150
F5	-0.665	-1.118	-1.191
F6	0.665	1.118	1.191
Cl7	-0.831	1.440	-1.353
Cl8	0.831	-1.440	1.353

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5202	1.0875	2.1630	1.3700	2.3450	1.7654	2.6892
C2	1.5202		2.1630	1.0875	2.3450	1.3700	2.6892	1.7654
H3	1.0875	2.1630		3.0678	2.0182	2.6178	2.3502	2.8939
H4	2.1630	1.0875	3.0678		2.6178	2.0182	2.8939	2.3502
F5	1.3700	2.3450	2.0182	2.6178		3.5272	2.5686	2.9691
F6	2.3450	1.3700	2.6178	2.0182	3.5272		2.9691	2.5686
Cl7	1.7654	2.6892	2.3502	2.8939	2.5686	2.9691		4.2878
Cl8	2.6892	1.7654	2.8939	2.3502	2.9691	2.5686	4.2878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.995	C1	C2	F6	108.347
C1	C2	Cl8	109.638	C2	C1	H3	110.995
C2	C1	F5	108.347	C2	C1	Cl7	109.638
H3	C1	F5	109.885	H3	C1	Cl7	108.590
H4	C2	F6	109.885	H4	C2	Cl8	108.590
F5	C1	Cl7	109.369	F6	C2	Cl8	109.369

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

using model chemistry: MP2/6-31G**

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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