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	hartrees
Energy at 0K	-1189.764666
Energy at 298.15K	-1189.768049
HF Energy	-1189.050215
Nuclear repulsion energy	372.936982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3025	1.56
2	A	1445	1369	0.36
3	A	1359	1288	26.24
4	A	1120	1061	95.70
5	A	1061	1006	42.31
6	A	820	777	79.83
7	A	439	416	2.91
8	A	293	278	1.28
9	A	164	155	1.40
10	A	81	76	0.77
11	B	3205	3039	7.08
12	B	1387	1315	5.17
13	B	1308	1240	21.71
14	B	1090	1034	8.45
15	B	792	751	107.63
16	B	408	387	7.44
17	B	370	351	19.71
18	B	344	326	13.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.406
C2	0.246	-0.725	0.406
H3	-1.333	0.767	0.383
H4	1.333	-0.767	0.383
F5	0.246	1.313	1.587
F6	-0.246	-1.313	1.587
Cl7	0.398	1.613	-1.006
Cl8	-0.398	-1.613	-1.006

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5311	1.0876	2.1723	1.4085	2.3555	1.7878	2.7351
C2	1.5311		2.1723	1.0876	2.3555	1.4085	2.7351	1.7878
H3	1.0876	2.1723		3.0752	2.0597	2.6375	2.3747	2.9095
H4	2.1723	1.0876	3.0752		2.6375	2.0597	2.9095	2.3747
F5	1.4085	2.3555	2.0597	2.6375		2.6721	2.6145	3.9622
F6	2.3555	1.4085	2.6375	2.0597	2.6721		3.9622	2.6145
Cl7	1.7878	2.7351	2.3747	2.9095	2.6145	3.9622		3.3223
Cl8	2.7351	1.7878	2.9095	2.3747	3.9622	2.6145	3.3223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.968	C1	C2	F6	106.437
C1	C2	Cl8	110.759	C2	C1	H3	110.968
C2	C1	F5	106.437	C2	C1	Cl7	110.759
H3	C1	F5	110.554	H3	C1	Cl7	108.906
H4	C2	F6	110.554	H4	C2	Cl8	108.906
F5	C1	Cl7	109.192	F6	C2	Cl8	109.192

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

using model chemistry: MP2=FULL/3-21G*

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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