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	hartrees
Energy at 0K	-1196.009357
Energy at 298.15K	-1196.012949
HF Energy	-1194.876510
Nuclear repulsion energy	377.064878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3009	0.17
2	A	1451	1375	10.28
3	A	1348	1277	17.16
4	A	1170	1108	155.49
5	A	1101	1044	113.03
6	A	864	819	76.30
7	A	472	447	0.44
8	A	318	302	1.43
9	A	171	162	0.69
10	A	82	78	0.64
11	B	3188	3020	10.96
12	B	1396	1323	6.69
13	B	1282	1215	31.85
14	B	1127	1068	26.52
15	B	859	814	94.07
16	B	446	423	14.50
17	B	401	380	8.53
18	B	342	324	11.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.730	0.398
C2	0.220	-0.730	0.398
H3	-1.302	0.816	0.347
H4	1.302	-0.816	0.347
F5	0.220	1.297	1.552
F6	-0.220	-1.297	1.552
Cl7	0.483	1.601	-0.983
Cl8	-0.483	-1.601	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5255	1.0863	2.1697	1.3593	2.3330	1.7771	2.7223
C2	1.5255		2.1697	1.0863	2.3330	1.3593	2.7223	1.7771
H3	1.0863	2.1697		3.0721	1.9999	2.6618	2.3603	2.8772
H4	2.1697	1.0863	3.0721		2.6618	1.9999	2.8772	2.3603
F5	1.3593	2.3330	1.9999	2.6618		2.6307	2.5668	3.9140
F6	2.3330	1.3593	2.6618	1.9999	2.6307		3.9140	2.5668
Cl7	1.7771	2.7223	2.3603	2.8772	2.5668	3.9140		3.3448
Cl8	2.7223	1.7771	2.8772	2.3603	3.9140	2.5668	3.3448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.236	C1	C2	F6	107.802
C1	C2	Cl8	110.797	C2	C1	H3	111.236
C2	C1	F5	107.802	C2	C1	Cl7	110.797
H3	C1	F5	109.220	H3	C1	Cl7	108.624
H4	C2	F6	109.220	H4	C2	Cl8	108.624
F5	C1	Cl7	109.126	F6	C2	Cl8	109.126

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

using model chemistry: CCSD=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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