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	hartrees
Energy at 0K	-1195.973730
Energy at 298.15K	-1195.977313
HF Energy	-1194.876155
Nuclear repulsion energy	377.626028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3033	0.13
2	A	1437	1369	7.78
3	A	1339	1276	15.40
4	A	1157	1102	113.38
5	A	1091	1039	156.91
6	A	866	825	85.17
7	A	472	450	0.52
8	A	317	302	1.32
9	A	172	164	0.71
10	A	83	79	0.60
11	B	3195	3044	9.68
12	B	1386	1320	6.65
13	B	1277	1217	29.22
14	B	1101	1049	26.87
15	B	857	817	93.44
16	B	444	423	13.86
17	B	400	381	8.49
18	B	342	325	11.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.729	0.396
C2	0.220	-0.729	0.396
H3	-1.302	0.813	0.347
H4	1.302	-0.813	0.347
F5	0.220	1.298	1.554
F6	-0.220	-1.298	1.554
Cl7	0.479	1.592	-0.983
Cl8	-0.479	-1.592	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5222	1.0863	2.1671	1.3636	2.3339	1.7715	2.7117
C2	1.5222		2.1671	1.0863	2.3339	1.3636	2.7117	1.7715
H3	1.0863	2.1671		3.0702	2.0027	2.6613	2.3561	2.8685
H4	2.1671	1.0863	3.0702		2.6613	2.0027	2.8685	2.3561
F5	1.3636	2.3339	2.0027	2.6613		2.6329	2.5678	3.9088
F6	2.3339	1.3636	2.6613	2.0027	2.6329		3.9088	2.5678
Cl7	1.7715	2.7117	2.3561	2.8685	2.5678	3.9088		3.3244
Cl8	2.7117	1.7715	2.8685	2.3561	3.9088	2.5678	3.3244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.262	C1	C2	F6	107.821
C1	C2	Cl8	110.607	C2	C1	H3	111.262
C2	C1	F5	107.821	C2	C1	Cl7	110.607
H3	C1	F5	109.141	H3	C1	Cl7	108.689
H4	C2	F6	109.141	H4	C2	Cl8	108.689
F5	C1	Cl7	109.289	F6	C2	Cl8	109.289

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

using model chemistry: MP2=FULL/TZVP

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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