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	hartrees
Energy at 0K	-1195.728357
Energy at 298.15K	-1195.731872
HF Energy	-1194.734098
Nuclear repulsion energy	376.380097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3186	3186
2	A	1420	1420
3	A	1328	1328
4	A	1148	1148
5	A	1076	1076
6	A	858	858
7	A	466	466
8	A	314	314
9	A	167	167
10	A	83	83
11	B	3197	3197
12	B	1356	1356
13	B	1273	1273
14	B	1075	1075
15	B	851	851
16	B	431	431
17	B	392	392
18	B	341	341

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.725	0.394
C2	0.236	-0.725	0.394
H3	-1.322	0.792	0.389
H4	1.322	-0.792	0.389
F5	0.236	1.300	1.558
F6	-0.236	-1.300	1.558
Cl7	0.415	1.616	-0.987
Cl8	-0.415	-1.616	-0.987

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5252	1.0882	2.1745	1.3815	2.3361	1.7675	2.7239
C2	1.5252		2.1745	1.0882	2.3361	1.3815	2.7239	1.7675
H3	1.0882	2.1745		3.0821	2.0131	2.6310	2.3643	2.9179
H4	2.1745	1.0882	3.0821		2.6310	2.0131	2.9179	2.3643
F5	1.3815	2.3361	2.0131	2.6310		2.6431	2.5708	3.9250
F6	2.3361	1.3815	2.6310	2.0131	2.6431		3.9250	2.5708
Cl7	1.7675	2.7239	2.3643	2.9179	2.5708	3.9250		3.3366
Cl8	2.7239	1.7675	2.9179	2.3643	3.9250	2.5708	3.3366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.533	C1	C2	F6	106.866
C1	C2	Cl8	111.426	C2	C1	H3	111.533
C2	C1	F5	106.866	C2	C1	Cl7	111.426
H3	C1	F5	108.619	H3	C1	Cl7	109.463
H4	C2	F6	108.619	H4	C2	Cl8	109.463
F5	C1	Cl7	108.829	F6	C2	Cl8	108.829

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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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