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	hartrees
Energy at 0K	-1195.812078
Energy at 298.15K	-1195.815694
HF Energy	-1194.843098
Nuclear repulsion energy	378.387662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3021	0.56
2	A	1441	1369	10.98
3	A	1352	1284	17.82
4	A	1164	1106	117.52
5	A	1102	1048	145.62
6	A	875	832	85.51
7	A	477	453	0.57
8	A	322	306	1.39
9	A	174	165	0.76
10	A	86	82	0.56
11	B	3190	3031	14.97
12	B	1391	1322	11.51
13	B	1276	1212	35.29
14	B	1114	1059	23.43
15	B	867	824	105.52
16	B	445	422	11.97
17	B	404	384	8.31
18	B	343	326	11.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.729	0.395
C2	0.224	-0.729	0.395
H3	-1.310	0.801	0.357
H4	1.310	-0.801	0.357
F5	0.224	1.294	1.551
F6	-0.224	-1.294	1.551
Cl7	0.456	1.595	-0.982
Cl8	-0.456	-1.595	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5247	1.0894	2.1669	1.3625	2.3297	1.7625	2.7107
C2	1.5247		2.1669	1.0894	2.3297	1.3625	2.7107	1.7625
H3	1.0894	2.1669		3.0715	2.0055	2.6451	2.3533	2.8745
H4	2.1669	1.0894	3.0715		2.6451	2.0055	2.8745	2.3533
F5	1.3625	2.3297	2.0055	2.6451		2.6259	2.5611	3.9013
F6	2.3297	1.3625	2.6451	2.0055	2.6259		3.9013	2.5611
Cl7	1.7625	2.7107	2.3533	2.8745	2.5611	3.9013		3.3175
Cl8	2.7107	1.7625	2.8745	2.3533	3.9013	2.5611	3.3175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.878	C1	C2	F6	107.457
C1	C2	Cl8	110.893	C2	C1	H3	110.878
C2	C1	F5	107.457	C2	C1	Cl7	110.893
H3	C1	F5	109.252	H3	C1	Cl7	108.918
H4	C2	F6	109.252	H4	C2	Cl8	108.918
F5	C1	Cl7	109.412	F6	C2	Cl8	109.412

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

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

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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