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	hartrees
Energy at 0K	-1181.361525
Energy at 298.15K	-1181.364604
HF Energy	-1181.197685
Nuclear repulsion energy	363.635009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	3005	0.22
2	A	1503	1336	7.86
3	A	1378	1225	38.28
4	A	1257	1118	68.97
5	A	1100	978	5.10
6	A	887	788	33.86
7	A	470	418	3.87
8	A	275	244	0.12
9	A	145	129	0.77
10	A	56	50	1.21
11	B	3385	3009	0.97
12	B	1446	1285	11.91
13	B	1302	1157	42.98
14	B	1263	1123	1.56
15	B	892	793	62.53
16	B	437	388	11.64
17	B	387	344	7.10
18	B	321	285	11.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.207	0.776	0.427
C2	0.207	-0.776	0.427
H3	-1.315	0.880	0.290
H4	1.315	-0.880	0.290
F5	0.207	1.367	1.610
F6	-0.207	-1.367	1.610
Cl7	0.587	1.618	-1.020
Cl8	-0.587	-1.618	-1.020

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6066	1.1213	2.2539	1.3855	2.4475	1.8535	2.8235
C2	1.6066		2.2539	1.1213	2.4475	1.3855	2.8235	1.8535
H3	1.1213	2.2539		3.1651	2.0732	2.8318	2.4248	2.9132
H4	2.2539	1.1213	3.1651		2.8318	2.0732	2.9132	2.4248
F5	1.3855	2.4475	2.0732	2.8318		2.7646	2.6693	4.0569
F6	2.4475	1.3855	2.8318	2.0732	2.7646		4.0569	2.6693
Cl7	1.8535	2.8235	2.4248	2.9132	2.6693	4.0569		3.4431
Cl8	2.8235	1.8535	2.9132	2.4248	4.0569	2.6693	3.4431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.155	C1	C2	F6	109.552
C1	C2	Cl8	109.171	C2	C1	H3	110.155
C2	C1	F5	109.552	C2	C1	Cl7	109.171
H3	C1	F5	111.156	H3	C1	Cl7	106.592
H4	C2	F6	111.156	H4	C2	Cl8	106.592
F5	C1	Cl7	110.160	F6	C2	Cl8	110.160

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

using model chemistry: MP2=FULL/STO-3G

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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