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	hartrees
Energy at 0K	-1196.952905
Energy at 298.15K	-1196.956382
HF Energy	-1196.647767
Nuclear repulsion energy	375.943647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3022	0.11
2	A	1411	1342	4.55
3	A	1317	1252	17.82
4	A	1131	1076	79.66
5	A	1069	1016	198.61
6	A	843	802	103.62
7	A	461	438	0.86
8	A	313	297	1.32
9	A	166	158	0.57
10	A	79	75	0.65
11	B	3189	3033	7.15
12	B	1351	1285	8.04
13	B	1262	1200	26.00
14	B	1067	1015	29.71
15	B	834	793	103.80
16	B	431	410	11.75
17	B	389	370	9.23
18	B	337	321	11.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.727	0.398
C2	0.233	-0.727	0.398
H3	-1.318	0.802	0.381
H4	1.318	-0.802	0.381
F5	0.233	1.301	1.558
F6	-0.233	-1.301	1.558
Cl7	0.429	1.618	-0.988
Cl8	-0.429	-1.618	-0.988

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5269	1.0883	2.1782	1.3751	2.3362	1.7749	2.7311
C2	1.5269		2.1782	1.0883	2.3362	1.3751	2.7311	1.7749
H3	1.0883	2.1782		3.0864	2.0093	2.6432	2.3642	2.9198
H4	2.1782	1.0883	3.0864		2.6432	2.0093	2.9198	2.3642
F5	1.3751	2.3362	2.0093	2.6432		2.6426	2.5725	3.9289
F6	2.3362	1.3751	2.6432	2.0093	2.6426		3.9289	2.5725
Cl7	1.7749	2.7311	2.3642	2.9198	2.5725	3.9289		3.3483
Cl8	2.7311	1.7749	2.9198	2.3642	3.9289	2.5725	3.3483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.698	C1	C2	F6	107.112
C1	C2	Cl8	111.397	C2	C1	H3	111.698
C2	C1	F5	107.112	C2	C1	Cl7	111.397
H3	C1	F5	108.748	H3	C1	Cl7	108.955
H4	C2	F6	108.748	H4	C2	Cl8	108.955
F5	C1	Cl7	108.847	F6	C2	Cl8	108.847

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

using model chemistry: B2PLYP=FULL/6-31+G**

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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