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	hartrees
Energy at 0K	-1196.287331
Energy at 298.15K	-1196.290903
HF Energy	-1194.909140
Nuclear repulsion energy	380.649441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3008	0.05
2	A	1419	1350	5.46
3	A	1305	1241	10.17
4	A	1163	1107	74.98
5	A	1091	1038	187.52
6	A	865	823	77.13
7	A	475	452	0.27
8	A	317	301	1.17
9	A	170	162	0.37
10	A	81	77	0.55
11	B	3173	3019	6.80
12	B	1356	1290	5.28
13	B	1254	1193	19.36
14	B	1095	1042	25.18
15	B	862	820	83.78
16	B	442	420	9.89
17	B	399	379	7.06
18	B	339	322	10.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.722	0.397
C2	0.225	-0.722	0.397
H3	-1.306	0.793	0.361
H4	1.306	-0.793	0.361
F5	0.225	1.296	1.546
F6	-0.225	-1.296	1.546
Cl7	0.453	1.571	-0.980
Cl8	-0.453	-1.571	-0.980

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5117	1.0842	2.1538	1.3606	2.3215	1.7538	2.6836
C2	1.5117		2.1538	1.0842	2.3215	1.3606	2.6836	1.7538
H3	1.0842	2.1538		3.0558	2.0002	2.6334	2.3448	2.8479
H4	2.1538	1.0842	3.0558		2.6334	2.0002	2.8479	2.3448
F5	1.3606	2.3215	2.0002	2.6334		2.6305	2.5502	3.8799
F6	2.3215	1.3606	2.6334	2.0002	2.6305		3.8799	2.5502
Cl7	1.7538	2.6836	2.3448	2.8479	2.5502	3.8799		3.2698
Cl8	2.6836	1.7538	2.8479	2.3448	3.8799	2.5502	3.2698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.059	C1	C2	F6	107.734
C1	C2	Cl8	110.317	C2	C1	H3	111.059
C2	C1	F5	107.734	C2	C1	Cl7	110.317
H3	C1	F5	109.272	H3	C1	Cl7	109.137
H4	C2	F6	109.272	H4	C2	Cl8	109.137
F5	C1	Cl7	109.290	F6	C2	Cl8	109.290

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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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