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	hartrees
Energy at 0K	-1196.266499
Energy at 298.15K	-1196.270120
HF Energy	-1194.904957
Nuclear repulsion energy	380.144405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	2981	0.22
2	A	1453	1355	12.78
3	A	1338	1248	8.08
4	A	1196	1116	180.99
5	A	1122	1046	85.78
6	A	869	811	69.41
7	A	476	444	0.47
8	A	322	301	1.37
9	A	171	159	0.50
10	A	84	78	0.60
11	B	3209	2993	8.84
12	B	1392	1298	5.91
13	B	1270	1184	25.23
14	B	1161	1083	26.96
15	B	868	809	92.42
16	B	447	417	11.04
17	B	404	377	7.39
18	B	340	317	11.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.725	0.400
C2	0.222	-0.725	0.400
H3	-1.297	0.800	0.353
H4	1.297	-0.800	0.353
F5	0.222	1.290	1.541
F6	-0.222	-1.290	1.541
Cl7	0.465	1.586	-0.978
Cl8	-0.465	-1.586	-0.978

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5165	1.0787	2.1527	1.3478	2.3153	1.7634	2.7012
C2	1.5165		2.1527	1.0787	2.3153	1.3478	2.7012	1.7634
H3	1.0787	2.1527		3.0475	1.9891	2.6333	2.3432	2.8555
H4	2.1527	1.0787	3.0475		2.6333	1.9891	2.8555	2.3432
F5	1.3478	2.3153	1.9891	2.6333		2.6172	2.5472	3.8834
F6	2.3153	1.3478	2.6333	1.9891	2.6172		3.8834	2.5472
Cl7	1.7634	2.7012	2.3432	2.8555	2.5472	3.8834		3.3050
Cl8	2.7012	1.7634	2.8555	2.3432	3.8834	2.5472	3.3050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.971	C1	C2	F6	107.721
C1	C2	Cl8	110.664	C2	C1	H3	110.971
C2	C1	F5	107.721	C2	C1	Cl7	110.664
H3	C1	F5	109.620	H3	C1	Cl7	108.659
H4	C2	F6	109.620	H4	C2	Cl8	108.659
F5	C1	Cl7	109.183	F6	C2	Cl8	109.183

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

using model chemistry: MP3=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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