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	hartrees
Energy at 0K	-1197.144415
Energy at 298.15K	-1197.147905
HF Energy	-1196.788939
Nuclear repulsion energy	375.845309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3014	0.14
2	A	1420	1355	6.90
3	A	1317	1257	12.17
4	A	1129	1077	127.71
5	A	1068	1019	153.65
6	A	833	795	100.71
7	A	458	437	1.48
8	A	314	299	1.42
9	A	168	160	0.70
10	A	77	74	0.64
11	B	3171	3026	8.84
12	B	1368	1306	5.87
13	B	1255	1197	30.23
14	B	1076	1027	29.42
15	B	824	786	100.63
16	B	437	417	14.14
17	B	390	372	8.32
18	B	334	318	10.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.221	0.730	0.402
C2	0.221	-0.730	0.402
H3	-1.302	0.821	0.350
H4	1.302	-0.821	0.350
F5	0.221	1.301	1.559
F6	-0.221	-1.301	1.559
Cl7	0.482	1.605	-0.988
Cl8	-0.482	-1.605	-0.988

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5262	1.0859	2.1750	1.3643	2.3380	1.7859	2.7293
C2	1.5262		2.1750	1.0859	2.3380	1.3643	2.7293	1.7859
H3	1.0859	2.1750		3.0790	2.0033	2.6706	2.3641	2.8888
H4	2.1750	1.0859	3.0790		2.6706	2.0033	2.8888	2.3641
F5	1.3643	2.3380	2.0033	2.6706		2.6401	2.5774	3.9272
F6	2.3380	1.3643	2.6706	2.0033	2.6401		3.9272	2.5774
Cl7	1.7859	2.7293	2.3641	2.8888	2.5774	3.9272		3.3511
Cl8	2.7293	1.7859	2.8888	2.3641	3.9272	2.5774	3.3511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.640	C1	C2	F6	107.838
C1	C2	Cl8	110.742	C2	C1	H3	111.640
C2	C1	F5	107.838	C2	C1	Cl7	110.742
H3	C1	F5	109.165	H3	C1	Cl7	108.343
H4	C2	F6	109.165	H4	C2	Cl8	108.343
F5	C1	Cl7	109.073	F6	C2	Cl8	109.073

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

using model chemistry: B2PLYP=FULL/TZVP

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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