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	hartrees
Energy at 0K	-1189.733772
Energy at 298.15K	-1189.737154
HF Energy	-1189.050180
Nuclear repulsion energy	372.834190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3035	1.56
2	A	1444	1374	0.34
3	A	1359	1293	26.26
4	A	1119	1064	96.17
5	A	1060	1009	41.73
6	A	820	780	80.10
7	A	439	418	2.93
8	A	293	279	1.29
9	A	164	156	1.40
10	A	80	76	0.77
11	B	3205	3049	7.14
12	B	1387	1320	5.32
13	B	1309	1245	21.61
14	B	1090	1037	8.43
15	B	792	754	108.10
16	B	408	388	7.50
17	B	370	352	19.71
18	B	344	328	13.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.725	0.405
C2	0.246	-0.725	0.405
H3	-1.333	0.767	0.382
H4	1.333	-0.767	0.382
F5	0.246	1.313	1.587
F6	-0.246	-1.313	1.587
Cl7	0.398	1.614	-1.006
Cl8	-0.398	-1.614	-1.006

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5316	1.0877	2.1728	1.4088	2.3558	1.7880	2.7364
C2	1.5316		2.1728	1.0877	2.3558	1.4088	2.7364	1.7880
H3	1.0877	2.1728		3.0758	2.0599	2.6379	2.3749	2.9108
H4	2.1728	1.0877	3.0758		2.6379	2.0599	2.9108	2.3749
F5	1.4088	2.3558	2.0599	2.6379		2.6712	2.6150	3.9632
F6	2.3558	1.4088	2.6379	2.0599	2.6712		3.9632	2.6150
Cl7	1.7880	2.7364	2.3749	2.9108	2.6150	3.9632		3.3254
Cl8	2.7364	1.7880	2.9108	2.3749	3.9632	2.6150	3.3254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.964	C1	C2	F6	106.410
C1	C2	Cl8	110.800	C2	C1	H3	110.964
C2	C1	F5	106.410	C2	C1	Cl7	110.800
H3	C1	F5	110.540	H3	C1	Cl7	108.904
H4	C2	F6	110.540	H4	C2	Cl8	108.904
F5	C1	Cl7	109.197	F6	C2	Cl8	109.197

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

using model chemistry: MP2/3-21G*

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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