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	hartrees
Energy at 0K	-1195.835162
Energy at 298.15K	-1195.838662
HF Energy	-1194.806292
Nuclear repulsion energy	374.729097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3055	0.09
2	A	1404	1360	5.93
3	A	1292	1251	11.56
4	A	1150	1114	72.55
5	A	1068	1034	186.25
6	A	843	816	76.30
7	A	461	447	0.24
8	A	312	302	1.23
9	A	167	161	0.36
10	A	79	76	0.61
11	B	3163	3064	7.04
12	B	1335	1293	5.81
13	B	1233	1194	23.35
14	B	1073	1040	24.63
15	B	836	810	89.91
16	B	434	420	10.65
17	B	390	378	7.92
18	B	334	324	10.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.732	0.396
C2	0.227	-0.732	0.396
H3	-1.321	0.822	0.351
H4	1.321	-0.822	0.351
F5	0.227	1.310	1.563
F6	-0.227	-1.310	1.563
Cl7	0.480	1.607	-0.987
Cl8	-0.480	-1.607	-0.987

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5324	1.0988	2.1936	1.3792	2.3520	1.7828	2.7292
C2	1.5324		2.1936	1.0988	2.3520	1.3792	2.7292	1.7828
H3	1.0988	2.1936		3.1117	2.0254	2.6853	2.3774	2.8983
H4	2.1936	1.0988	3.1117		2.6853	2.0254	2.8983	2.3774
F5	1.3792	2.3520	2.0254	2.6853		2.6595	2.5797	3.9388
F6	2.3520	1.3792	2.6853	2.0254	2.6595		3.9388	2.5797
Cl7	1.7828	2.7292	2.3774	2.8983	2.5797	3.9388		3.3547
Cl8	2.7292	1.7828	2.8983	2.3774	3.9388	2.5797	3.3547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.902	C1	C2	F6	107.649
C1	C2	Cl8	110.588	C2	C1	H3	111.902
C2	C1	F5	107.649	C2	C1	Cl7	110.588
H3	C1	F5	109.114	H3	C1	Cl7	108.854
H4	C2	F6	109.114	H4	C2	Cl8	108.854
F5	C1	Cl7	108.668	F6	C2	Cl8	108.668

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

using model chemistry: QCISD/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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