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	hartrees
Energy at 0K	-1195.831953
Energy at 298.15K	-1195.835435
HF Energy	-1194.807129
Nuclear repulsion energy	373.329971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	3040	0.00
2	A_g	1410	1359	0.00
3	A_g	1316	1267	0.00
4	A_g	1150	1108	0.00
5	A_g	1082	1042	0.00
6	A_g	842	811	0.00
7	A_g	516	497	0.00
8	A_g	377	363	0.00
9	A_g	271	261	0.00
10	A_u	3165	3049	7.03
11	A_u	1317	1268	16.50
12	A_u	1238	1192	35.44
13	A_u	1113	1072	234.09
14	A_u	794	765	190.70
15	A_u	403	389	3.83
16	A_u	369	356	26.83
17	A_u	172	165	0.80
18	A_u	73	70	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.020	0.000	-1.173
H4	-1.020	0.000	1.173
F5	-0.673	-1.116	-1.205
F6	0.673	1.116	1.205
Cl7	-0.847	1.453	-1.365
Cl8	0.847	-1.453	1.365

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5310	1.0986	2.1908	1.3749	2.3622	1.7856	2.7146
C2	1.5310		2.1908	1.0986	2.3622	1.3749	2.7146	1.7856
H3	1.0986	2.1908		3.1096	2.0275	2.6499	2.3734	2.9304
H4	2.1908	1.0986	3.1096		2.6499	2.0275	2.9304	2.3734
F5	1.3749	2.3622	2.0275	2.6499		3.5492	2.5797	3.0047
F6	2.3622	1.3749	2.6499	2.0275	3.5492		3.0047	2.5797
Cl7	1.7856	2.7146	2.3734	2.9304	2.5797	3.0047		4.3325
Cl8	2.7146	1.7856	2.9304	2.3734	3.0047	2.5797	4.3325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.799	C1	C2	F6	108.640
C1	C2	Cl8	109.631	C2	C1	H3	111.799
C2	C1	F5	108.640	C2	C1	Cl7	109.631
H3	C1	F5	109.605	H3	C1	Cl7	108.391
H4	C2	F6	109.605	H4	C2	Cl8	108.391
F5	C1	Cl7	108.727	F6	C2	Cl8	108.727

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

using model chemistry: CCSD/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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