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	hartrees
Energy at 0K	-1195.969772
Energy at 298.15K	-1195.973380
HF Energy	-1194.839508
Nuclear repulsion energy	378.658273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3013	0.59
2	A	1447	1370	8.14
3	A	1359	1287	17.87
4	A	1167	1105	105.19
5	A	1106	1047	158.57
6	A	877	830	87.94
7	A	477	452	0.58
8	A	323	306	1.43
9	A	174	165	0.78
10	A	86	82	0.61
11	B	3192	3023	14.20
12	B	1392	1319	12.75
13	B	1286	1218	29.15
14	B	1114	1055	23.00
15	B	868	822	107.27
16	B	446	422	12.51
17	B	406	384	8.45
18	B	343	325	11.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.727	0.395
C2	0.224	-0.727	0.395
H3	-1.311	0.802	0.361
H4	1.311	-0.802	0.361
F5	0.224	1.292	1.550
F6	-0.224	-1.292	1.550
Cl7	0.454	1.594	-0.981
Cl8	-0.454	-1.594	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5215	1.0897	2.1665	1.3620	2.3260	1.7621	2.7077
C2	1.5215		2.1665	1.0897	2.3260	1.3620	2.7077	1.7621
H3	1.0897	2.1665		3.0730	2.0028	2.6418	2.3543	2.8761
H4	2.1665	1.0897	3.0730		2.6418	2.0028	2.8761	2.3543
F5	1.3620	2.3260	2.0028	2.6418		2.6221	2.5600	3.8981
F6	2.3260	1.3620	2.6418	2.0028	2.6221		3.8981	2.5600
Cl7	1.7621	2.7077	2.3543	2.8761	2.5600	3.8981		3.3142
Cl8	2.7077	1.7621	2.8761	2.3543	3.8981	2.5600	3.3142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.062	C1	C2	F6	107.416
C1	C2	Cl8	110.888	C2	C1	H3	111.062
C2	C1	F5	107.416	C2	C1	Cl7	110.888
H3	C1	F5	109.048	H3	C1	Cl7	109.000
H4	C2	F6	109.048	H4	C2	Cl8	109.000
F5	C1	Cl7	109.387	F6	C2	Cl8	109.387

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

using model chemistry: MP2=FULL/6-311G*

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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