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	hartrees
Energy at 0K	-1195.865891
Energy at 298.15K	-1195.869335
HF Energy	-1194.805501
Nuclear repulsion energy	373.891192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3130	3060
2	A	1383	1353
3	A	1274	1246
4	A	1134	1109
5	A	1049	1026
6	A	828	810
7	A	454	444
8	A	308	301
9	A	164	161
10	A	77	76
11	B	3140	3070
12	B	1318	1288
13	B	1216	1189
14	B	1051	1028
15	B	819	801
16	B	428	419
17	B	384	375
18	B	330	322

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.733	0.396
C2	0.227	-0.733	0.396
H3	-1.323	0.825	0.349
H4	1.323	-0.825	0.349
F5	0.227	1.313	1.568
F6	-0.227	-1.313	1.568
Cl7	0.486	1.607	-0.990
Cl8	-0.486	-1.607	-0.990

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5344	1.1008	2.1982	1.3837	2.3571	1.7877	2.7324
C2	1.5344		2.1982	1.1008	2.3571	1.3837	2.7324	1.7877
H3	1.1008	2.1982		3.1184	2.0310	2.6934	2.3832	2.9003
H4	2.1982	1.1008	3.1184		2.6934	2.0310	2.9003	2.3832
F5	1.3837	2.3571	2.0310	2.6934		2.6644	2.5878	3.9469
F6	2.3571	1.3837	2.6934	2.0310	2.6644		3.9469	2.5878
Cl7	1.7877	2.7324	2.3832	2.9003	2.5878	3.9469		3.3584
Cl8	2.7324	1.7877	2.9003	2.3832	3.9469	2.5878	3.3584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.005	C1	C2	F6	107.643
C1	C2	Cl8	110.436	C2	C1	H3	112.005
C2	C1	F5	107.643	C2	C1	Cl7	110.436
H3	C1	F5	109.135	H3	C1	Cl7	108.857
H4	C2	F6	109.135	H4	C2	Cl8	108.857
F5	C1	Cl7	108.699	F6	C2	Cl8	108.699

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

using model chemistry: QCISD(T)/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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