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	hartrees
Energy at 0K	-1195.655938
Energy at 298.15K	-1195.659551
HF Energy	-1194.720778
Nuclear repulsion energy	378.053082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3233	0.78
2	A	1468	1468	9.05
3	A	1371	1371	29.57
4	A	1193	1193	137.43
5	A	1135	1135	97.44
6	A	883	883	69.34
7	A	476	476	0.50
8	A	324	324	1.35
9	A	170	170	0.68
10	A	86	86	0.69
11	B	3243	3243	14.89
12	B	1406	1406	9.01
13	B	1298	1298	31.94
14	B	1159	1159	21.01
15	B	877	877	104.79
16	B	445	445	11.97
17	B	402	402	9.12
18	B	347	347	13.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	0.725	0.389
C2	0.228	-0.725	0.389
H3	-1.311	0.793	0.359
H4	1.311	-0.793	0.359
F5	0.228	1.278	1.550
F6	-0.228	-1.278	1.550
Cl7	0.440	1.616	-0.979
Cl8	-0.440	-1.616	-0.979

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5210	1.0846	2.1619	1.3646	2.3155	1.7646	2.7206
C2	1.5210		2.1619	1.0846	2.3155	1.3646	2.7206	1.7646
H3	1.0846	2.1619		3.0632	2.0061	2.6227	2.3525	2.8896
H4	2.1619	1.0846	3.0632		2.6227	2.0061	2.8896	2.3525
F5	1.3646	2.3155	2.0061	2.6227		2.5967	2.5606	3.9017
F6	2.3155	1.3646	2.6227	2.0061	2.5967		3.9017	2.5606
Cl7	1.7646	2.7206	2.3525	2.8896	2.5606	3.9017		3.3507
Cl8	2.7206	1.7646	2.8896	2.3525	3.9017	2.5606	3.3507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.025	C1	C2	F6	106.605
C1	C2	Cl8	111.580	C2	C1	H3	111.025
C2	C1	F5	106.605	C2	C1	Cl7	111.580
H3	C1	F5	109.453	H3	C1	Cl7	108.963
H4	C2	F6	109.453	H4	C2	Cl8	108.963
F5	C1	Cl7	109.164	F6	C2	Cl8	109.164

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

using model chemistry: MP3=FULL/6-31G**

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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