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	hartrees
Energy at 0K	-1195.918548
Energy at 298.15K	-1195.922036
HF Energy	-1194.876545
Nuclear repulsion energy	374.266695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3148	3032
2	A_g	1427	1375
3	A_g	1354	1304
4	A_g	1138	1096
5	A_g	1090	1050
6	A_g	845	814
7	A_g	520	500
8	A_g	377	363
9	A_g	269	259
10	A_u	3160	3043
11	A_u	1348	1298
12	A_u	1269	1222
13	A_u	1123	1081
14	A_u	788	759
15	A_u	404	389
16	A_u	378	364
17	A_u	172	165
18	A_u	72	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.015	0.000	-1.159
H4	-1.015	0.000	1.159
F5	-0.660	-1.108	-1.207
F6	0.660	1.108	1.207
Cl7	-0.839	1.461	-1.360
Cl8	0.839	-1.461	1.360

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5277	1.0892	2.1741	1.3639	2.3551	1.7867	2.7104
C2	1.5277		2.1741	1.0892	2.3551	1.3639	2.7104	1.7867
H3	1.0892	2.1741		3.0809	2.0094	2.6359	2.3690	2.9164
H4	2.1741	1.0892	3.0809		2.6359	2.0094	2.9164	2.3690
F5	1.3639	2.3551	2.0094	2.6359		3.5326	2.5794	2.9930
F6	2.3551	1.3639	2.6359	2.0094	3.5326		2.9930	2.5794
Cl7	1.7867	2.7104	2.3690	2.9164	2.5794	2.9930		4.3294
Cl8	2.7104	1.7867	2.9164	2.3690	2.9930	2.5794	4.3294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.254	C1	C2	F6	108.942
C1	C2	Cl8	109.475	C2	C1	H3	111.254
C2	C1	F5	108.942	C2	C1	Cl7	109.475
H3	C1	F5	109.489	H3	C1	Cl7	108.478
H4	C2	F6	109.489	H4	C2	Cl8	108.478
F5	C1	Cl7	109.175	F6	C2	Cl8	109.175

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: QCISD(T)/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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