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	hartrees
Energy at 0K	-1195.888445
Energy at 298.15K	-1195.891899
HF Energy	-1194.805904
Nuclear repulsion energy	374.442199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3136	3046
2	A	1387	1347
3	A	1276	1239
4	A	1139	1106
5	A	1054	1024
6	A	830	806
7	A	455	442
8	A	309	300
9	A	164	160
10	A	77	75
11	B	3146	3055
12	B	1322	1283
13	B	1217	1182
14	B	1059	1028
15	B	821	798
16	B	430	418
17	B	385	374
18	B	330	320

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.732	0.395
C2	0.226	-0.732	0.395
H3	-1.320	0.825	0.344
H4	1.320	-0.825	0.344
F5	0.226	1.311	1.565
F6	-0.226	-1.311	1.565
Cl7	0.493	1.603	-0.988
Cl8	-0.493	-1.603	-0.988

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5323	1.0998	2.1949	1.3814	2.3546	1.7854	2.7271
C2	1.5323		2.1949	1.0998	2.3546	1.3814	2.7271	1.7854
H3	1.0998	2.1949		3.1139	2.0287	2.6930	2.3808	2.8907
H4	2.1949	1.0998	3.1139		2.6930	2.0287	2.8907	2.3808
F5	1.3814	2.3546	2.0287	2.6930		2.6603	2.5842	3.9405
F6	2.3546	1.3814	2.6930	2.0287	2.6603		3.9405	2.5842
Cl7	1.7854	2.7271	2.3808	2.8907	2.5842	3.9405		3.3538
Cl8	2.7271	1.7854	2.8907	2.3808	3.9405	2.5842	3.3538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.956	C1	C2	F6	107.712
C1	C2	Cl8	110.337	C2	C1	H3	111.956
C2	C1	F5	107.712	C2	C1	Cl7	110.337
H3	C1	F5	109.176	H3	C1	Cl7	108.886
H4	C2	F6	109.176	H4	C2	Cl8	108.886
F5	C1	Cl7	108.711	F6	C2	Cl8	108.711

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

using model chemistry: CCSD(T)=FULL/aug-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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