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	hartrees
Energy at 0K	-1195.751236
Energy at 298.15K	-1195.754785
HF Energy	-1194.776946
Nuclear repulsion energy	376.393697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3161	0.82
2	A	1427	1427	14.46
3	A	1312	1312	15.92
4	A	1170	1170	152.12
5	A	1103	1103	119.11
6	A	855	855	69.42
7	A	467	467	0.61
8	A	317	317	1.31
9	A	168	168	0.79
10	A	82	82	0.60
11	B	3171	3171	16.21
12	B	1360	1360	5.78
13	B	1240	1240	34.14
14	B	1129	1129	26.34
15	B	849	849	101.14
16	B	437	437	12.01
17	B	396	396	7.99
18	B	339	339	12.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.731	0.402
C2	0.226	-0.731	0.402
H3	-1.322	0.805	0.361
H4	1.322	-0.805	0.361
F5	0.226	1.298	1.557
F6	-0.226	-1.298	1.557
Cl7	0.457	1.606	-0.987
Cl8	-0.457	-1.606	-0.987

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5307	1.0999	2.1815	1.3633	2.3347	1.7778	2.7287
C2	1.5307		2.1815	1.0999	2.3347	1.3633	2.7287	1.7778
H3	1.0999	2.1815		3.0964	2.0172	2.6562	2.3718	2.8947
H4	2.1815	1.0999	3.0964		2.6562	2.0172	2.8947	2.3718
F5	1.3633	2.3347	2.0172	2.6562		2.6344	2.5730	3.9204
F6	2.3347	1.3633	2.6562	2.0172	2.6344		3.9204	2.5730
Cl7	1.7778	2.7287	2.3718	2.8947	2.5730	3.9204		3.3398
Cl8	2.7287	1.7778	2.8947	2.3718	3.9204	2.5730	3.3398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.991	C1	C2	F6	107.421
C1	C2	Cl8	110.908	C2	C1	H3	110.991
C2	C1	F5	107.421	C2	C1	Cl7	110.908
H3	C1	F5	109.493	H3	C1	Cl7	108.716
H4	C2	F6	109.493	H4	C2	Cl8	108.716
F5	C1	Cl7	109.285	F6	C2	Cl8	109.285

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: CCSD=FULL/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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