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	hartrees
Energy at 0K	-1195.756748
Energy at 298.15K	-1195.760234
HF Energy	-1194.776143
Nuclear repulsion energy	375.196121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3131	2984
2	A	1405	1339
3	A	1293	1232
4	A	1150	1096
5	A	1083	1033
6	A	839	799
7	A	458	437
8	A	312	297
9	A	165	158
10	A	80	77
11	B	3141	2994
12	B	1342	1279
13	B	1223	1165
14	B	1103	1052
15	B	830	791
16	B	431	411
17	B	389	370
18	B	333	318

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.733	0.404
C2	0.226	-0.733	0.404
H3	-1.325	0.809	0.359
H4	1.325	-0.809	0.359
F5	0.226	1.301	1.563
F6	-0.226	-1.301	1.563
Cl7	0.464	1.608	-0.991
Cl8	-0.464	-1.608	-0.991

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5344	1.1029	2.1882	1.3679	2.3417	1.7850	2.7353
C2	1.5344		2.1882	1.1029	2.3417	1.3679	2.7353	1.7850
H3	1.1029	2.1882		3.1059	2.0244	2.6670	2.3795	2.8997
H4	2.1882	1.1029	3.1059		2.6670	2.0244	2.8997	2.3795
F5	1.3679	2.3417	2.0244	2.6670		2.6418	2.5836	3.9323
F6	2.3417	1.3679	2.6670	2.0244	2.6418		3.9323	2.5836
Cl7	1.7850	2.7353	2.3795	2.8997	2.5836	3.9323		3.3462
Cl8	2.7353	1.7850	2.8997	2.3795	3.9323	2.5836	3.3462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.076	C1	C2	F6	107.437
C1	C2	Cl8	110.751	C2	C1	H3	111.076
C2	C1	F5	107.437	C2	C1	Cl7	110.751
H3	C1	F5	109.562	H3	C1	Cl7	108.650
H4	C2	F6	109.562	H4	C2	Cl8	108.650
F5	C1	Cl7	109.342	F6	C2	Cl8	109.342

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

using model chemistry: QCISD(T)/cc-pVDZ

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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