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	hartrees
Energy at 0K	-1195.663530
Energy at 298.15K	-1195.667093
HF Energy	-1194.734294
Nuclear repulsion energy	377.751310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3021	0.12
2	A	1427	1341	2.72
3	A	1339	1258	23.15
4	A	1159	1089	46.61
5	A	1082	1016	215.93
6	A	876	822	87.25
7	A	474	445	0.10
8	A	317	298	1.29
9	A	170	159	0.55
10	A	85	80	0.62
11	B	3228	3031	7.39
12	B	1364	1281	10.42
13	B	1285	1206	21.77
14	B	1078	1012	25.99
15	B	869	816	96.72
16	B	436	410	10.89
17	B	398	373	9.91
18	B	345	324	12.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.723	0.391
C2	0.235	-0.723	0.391
H3	-1.320	0.789	0.387
H4	1.320	-0.789	0.387
F5	0.235	1.299	1.555
F6	-0.235	-1.299	1.555
Cl7	0.412	1.606	-0.984
Cl8	-0.412	-1.606	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5204	1.0867	2.1682	1.3809	2.3328	1.7572	2.7102
C2	1.5204		2.1682	1.0867	2.3328	1.3809	2.7102	1.7572
H3	1.0867	2.1682		3.0745	2.0099	2.6262	2.3552	2.9046
H4	2.1682	1.0867	3.0745		2.6262	2.0099	2.9046	2.3552
F5	1.3809	2.3328	2.0099	2.6262		2.6394	2.5632	3.9115
F6	2.3328	1.3809	2.6262	2.0099	2.6394		3.9115	2.5632
Cl7	1.7572	2.7102	2.3552	2.9046	2.5632	3.9115		3.3162
Cl8	2.7102	1.7572	2.9046	2.3552	3.9115	2.5632	3.3162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.457	C1	C2	F6	106.942
C1	C2	Cl8	111.355	C2	C1	H3	111.457
C2	C1	F5	106.942	C2	C1	Cl7	111.355
H3	C1	F5	108.494	H3	C1	Cl7	109.550
H4	C2	F6	108.494	H4	C2	Cl8	109.550
F5	C1	Cl7	108.941	F6	C2	Cl8	108.941

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

using model chemistry: MP2=FULL/6-31+G**

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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