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	hartrees
Energy at 0K	-1196.924567
Energy at 298.15K	-1196.928063
HF Energy	-1196.627414
Nuclear repulsion energy	376.308286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3170	0.60
2	A	1430	1430	8.28
3	A	1331	1331	22.95
4	A	1153	1153	154.96
5	A	1098	1098	95.62
6	A	844	844	91.37
7	A	459	459	2.24
8	A	316	316	1.28
9	A	165	165	0.72
10	A	81	81	0.63
11	B	3181	3181	14.66
12	B	1373	1373	7.61
13	B	1264	1264	34.03
14	B	1118	1118	21.68
15	B	830	830	115.08
16	B	438	438	11.91
17	B	389	389	8.02
18	B	337	337	11.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.729	0.394
C2	0.226	-0.729	0.394
H3	-1.310	0.808	0.347
H4	1.310	-0.808	0.347
F5	0.226	1.282	1.557
F6	-0.226	-1.282	1.557
Cl7	0.464	1.619	-0.984
Cl8	-0.464	-1.619	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5255	1.0886	2.1730	1.3645	2.3226	1.7799	2.7330
C2	1.5255		2.1730	1.0886	2.3226	1.3645	2.7330	1.7799
H3	1.0886	2.1730		3.0787	2.0119	2.6472	2.3618	2.8948
H4	2.1730	1.0886	3.0787		2.6472	2.0119	2.8948	2.3618
F5	1.3645	2.3226	2.0119	2.6472		2.6032	2.5744	3.9179
F6	2.3226	1.3645	2.6472	2.0119	2.6032		3.9179	2.5744
Cl7	1.7799	2.7330	2.3618	2.8948	2.5744	3.9179		3.3690
Cl8	2.7330	1.7799	2.8948	2.3618	3.9179	2.5744	3.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.361	C1	C2	F6	106.830
C1	C2	Cl8	111.313	C2	C1	H3	111.361
C2	C1	F5	106.830	C2	C1	Cl7	111.313
H3	C1	F5	109.681	H3	C1	Cl7	108.427
H4	C2	F6	109.681	H4	C2	Cl8	108.427
F5	C1	Cl7	109.200	F6	C2	Cl8	109.200

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

using model chemistry: B2PLYP=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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