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	hartrees
Energy at 0K	-1197.240468
Energy at 298.15K	-1197.243958
HF Energy	-1196.812921
Nuclear repulsion energy	377.536035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3144	3005	0.21
2	A	1409	1347	6.35
3	A	1302	1245	8.44
4	A	1137	1087	134.88
5	A	1075	1027	133.07
6	A	833	796	92.36
7	A	458	438	1.40
8	A	313	299	1.27
9	A	166	159	0.49
10	A	78	75	0.57
11	B	3157	3018	9.55
12	B	1354	1294	5.48
13	B	1243	1188	26.41
14	B	1087	1039	26.76
15	B	824	787	96.85
16	B	436	416	11.15
17	B	389	371	7.08
18	B	332	317	10.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.728	0.401
C2	0.223	-0.728	0.401
H3	-1.303	0.812	0.352
H4	1.303	-0.812	0.352
F5	0.223	1.298	1.553
F6	-0.223	-1.298	1.553
Cl7	0.471	1.596	-0.984
Cl8	-0.471	-1.596	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5222	1.0842	2.1684	1.3604	2.3304	1.7756	2.7161
C2	1.5222		2.1684	1.0842	2.3304	1.3604	2.7161	1.7756
H3	1.0842	2.1684		3.0706	2.0011	2.6573	2.3550	2.8766
H4	2.1684	1.0842	3.0706		2.6573	2.0011	2.8766	2.3550
F5	1.3604	2.3304	2.0011	2.6573		2.6341	2.5661	3.9102
F6	2.3304	1.3604	2.6573	2.0011	2.6341		3.9102	2.5661
Cl7	1.7756	2.7161	2.3550	2.8766	2.5661	3.9102		3.3275
Cl8	2.7161	1.7756	2.8766	2.3550	3.9102	2.5661	3.3275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.494	C1	C2	F6	107.751
C1	C2	Cl8	110.658	C2	C1	H3	111.494
C2	C1	F5	107.751	C2	C1	Cl7	110.658
H3	C1	F5	109.363	H3	C1	Cl7	108.438
H4	C2	F6	109.363	H4	C2	Cl8	108.438
F5	C1	Cl7	109.104	F6	C2	Cl8	109.104

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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