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	hartrees
Energy at 0K	-1196.235413
Energy at 298.15K	-1196.238996
HF Energy	-1194.904256
Nuclear repulsion energy	380.393921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3013	0.19
2	A	1422	1350	8.28
3	A	1318	1251	8.50
4	A	1169	1110	119.91
5	A	1100	1045	142.33
6	A	865	821	76.35
7	A	473	449	0.52
8	A	318	302	1.19
9	A	171	162	0.51
10	A	85	81	0.52
11	B	3187	3026	9.01
12	B	1366	1297	5.68
13	B	1254	1191	23.80
14	B	1114	1058	24.83
15	B	860	816	89.60
16	B	441	419	10.07
17	B	399	379	7.17
18	B	337	320	11.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.723	0.399
C2	0.224	-0.723	0.399
H3	-1.302	0.796	0.356
H4	1.302	-0.796	0.356
F5	0.224	1.295	1.546
F6	-0.224	-1.295	1.546
Cl7	0.459	1.573	-0.980
Cl8	-0.459	-1.573	-0.980

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5140	1.0814	2.1533	1.3569	2.3210	1.7579	2.6890
C2	1.5140		2.1533	1.0814	2.3210	1.3569	2.6890	1.7579
H3	1.0814	2.1533		3.0516	1.9975	2.6359	2.3430	2.8477
H4	2.1533	1.0814	3.0516		2.6359	1.9975	2.8477	2.3430
F5	1.3569	2.3210	1.9975	2.6359		2.6279	2.5519	3.8820
F6	2.3210	1.3569	2.6359	1.9975	2.6279		3.8820	2.5519
Cl7	1.7579	2.6890	2.3430	2.8477	2.5519	3.8820		3.2773
Cl8	2.6890	1.7579	2.8477	2.3430	3.8820	2.5519	3.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.022	C1	C2	F6	107.762
C1	C2	Cl8	110.318	C2	C1	H3	111.022
C2	C1	F5	107.762	C2	C1	Cl7	110.318
H3	C1	F5	109.490	H3	C1	Cl7	108.873
H4	C2	F6	109.490	H4	C2	Cl8	108.873
F5	C1	Cl7	109.353	F6	C2	Cl8	109.353

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

using model chemistry: MP2=FULL/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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