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	hartrees
Energy at 0K	-1195.846588
Energy at 298.15K	-1195.850126
HF Energy	-1194.807196
Nuclear repulsion energy	375.749041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3183	0.09
2	A	1419	1419	8.61
3	A	1303	1303	10.17
4	A	1165	1165	107.47
5	A	1090	1090	152.50
6	A	849	849	71.89
7	A	465	465	0.24
8	A	316	316	1.32
9	A	167	167	0.35
10	A	79	79	0.66
11	B	3192	3192	6.47
12	B	1351	1351	5.88
13	B	1240	1240	23.23
14	B	1108	1108	25.41
15	B	845	845	90.73
16	B	440	440	11.31
17	B	395	395	7.81
18	B	336	336	10.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.732	0.395
C2	0.224	-0.732	0.395
H3	-1.315	0.824	0.341
H4	1.315	-0.824	0.341
F5	0.224	1.305	1.557
F6	-0.224	-1.305	1.557
Cl7	0.493	1.601	-0.984
Cl8	-0.493	-1.601	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5306	1.0962	2.1883	1.3708	2.3455	1.7805	2.7235
C2	1.5306		2.1883	1.0962	2.3455	1.3708	2.7235	1.7805
H3	1.0962	2.1883		3.1025	2.0191	2.6838	2.3718	2.8828
H4	2.1883	1.0962	3.1025		2.6838	2.0191	2.8828	2.3718
F5	1.3708	2.3455	2.0191	2.6838		2.6490	2.5723	3.9266
F6	2.3455	1.3708	2.6838	2.0191	2.6490		3.9266	2.5723
Cl7	1.7805	2.7235	2.3718	2.8828	2.5723	3.9266		3.3505
Cl8	2.7235	1.7805	2.8828	2.3718	3.9266	2.5723	3.3505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.761	C1	C2	F6	107.754
C1	C2	Cl8	110.453	C2	C1	H3	111.761
C2	C1	F5	107.754	C2	C1	Cl7	110.453
H3	C1	F5	109.360	H3	C1	Cl7	108.730
H4	C2	F6	109.360	H4	C2	Cl8	108.730
F5	C1	Cl7	108.730	F6	C2	Cl8	108.730

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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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