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	hartrees
Energy at 0K	-1195.995022
Energy at 298.15K	-1195.998657
HF Energy	-1194.840089
Nuclear repulsion energy	378.590220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3188	0.61
2	A	1463	1463	12.37
3	A	1368	1368	18.24
4	A	1189	1189	170.90
5	A	1125	1125	96.06
6	A	880	880	77.33
7	A	480	480	0.41
8	A	326	326	1.58
9	A	174	174	0.76
10	A	86	86	0.69
11	B	3198	3198	13.91
12	B	1405	1405	12.63
13	B	1293	1293	29.76
14	B	1155	1155	25.49
15	B	876	876	107.04
16	B	449	449	13.41
17	B	409	409	8.71
18	B	345	345	12.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.729	0.396
C2	0.223	-0.729	0.396
H3	-1.309	0.805	0.359
H4	1.309	-0.805	0.359
F5	0.223	1.289	1.546
F6	-0.223	-1.289	1.546
Cl7	0.458	1.601	-0.979
Cl8	-0.458	-1.601	-0.979

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5240	1.0890	2.1679	1.3544	2.3219	1.7659	2.7159
C2	1.5240		2.1679	1.0890	2.3219	1.3544	2.7159	1.7659
H3	1.0890	2.1679		3.0730	1.9972	2.6401	2.3557	2.8818
H4	2.1679	1.0890	3.0730		2.6401	1.9972	2.8818	2.3557
F5	1.3544	2.3219	1.9972	2.6401		2.6160	2.5553	3.8979
F6	2.3219	1.3544	2.6401	1.9972	2.6160		3.8979	2.5553
Cl7	1.7659	2.7159	2.3557	2.8818	2.5553	3.8979		3.3311
Cl8	2.7159	1.7659	2.8818	2.3557	3.8979	2.5553	3.3311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.035	C1	C2	F6	107.400
C1	C2	Cl8	111.068	C2	C1	H3	111.035
C2	C1	F5	107.400	C2	C1	Cl7	111.068
H3	C1	F5	109.169	H3	C1	Cl7	108.887
H4	C2	F6	109.169	H4	C2	Cl8	108.887
F5	C1	Cl7	109.243	F6	C2	Cl8	109.243

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

using model chemistry: MP3=FULL/6-311G*

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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