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	hartrees
Energy at 0K	-1196.197326
Energy at 298.15K	-1196.200841
HF Energy	-1194.903908
Nuclear repulsion energy	377.668293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3132	3053
2	A	1412	1376
3	A	1301	1268
4	A	1156	1127
5	A	1087	1060
6	A	843	822
7	A	462	450
8	A	312	305
9	A	167	162
10	A	80	78
11	B	3144	3065
12	B	1351	1317
13	B	1237	1206
14	B	1111	1083
15	B	837	816
16	B	437	426
17	B	391	381
18	B	332	324

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.730	0.402
C2	0.223	-0.730	0.402
H3	-1.306	0.812	0.351
H4	1.306	-0.812	0.351
F5	0.223	1.300	1.552
F6	-0.223	-1.300	1.552
Cl7	0.476	1.590	-0.984
Cl8	-0.476	-1.590	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5260	1.0878	2.1721	1.3595	2.3334	1.7743	2.7139
C2	1.5260		2.1721	1.0878	2.3334	1.3595	2.7139	1.7743
H3	1.0878	2.1721		3.0763	2.0048	2.6607	2.3586	2.8710
H4	2.1721	1.0878	3.0763		2.6607	2.0048	2.8710	2.3586
F5	1.3595	2.3334	2.0048	2.6607		2.6380	2.5657	3.9082
F6	2.3334	1.3595	2.6607	2.0048	2.6380		3.9082	2.5657
Cl7	1.7743	2.7139	2.3586	2.8710	2.5657	3.9082		3.3191
Cl8	2.7139	1.7743	2.8710	2.3586	3.9082	2.5657	3.3191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.301	C1	C2	F6	107.791
C1	C2	Cl8	110.410	C2	C1	H3	111.301
C2	C1	F5	107.791	C2	C1	Cl7	110.410
H3	C1	F5	109.509	H3	C1	Cl7	108.605
H4	C2	F6	109.509	H4	C2	Cl8	108.605
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: CCSD(T)/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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