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	hartrees
Energy at 0K	-1195.727028
Energy at 298.15K	-1195.730568
HF Energy	-1194.778208
Nuclear repulsion energy	374.813752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	3025	0.00
2	A_g	1434	1372	0.00
3	A_g	1335	1277	0.00
4	A_g	1174	1123	0.00
5	A_g	1119	1070	0.00
6	A_g	858	821	0.00
7	A_g	526	504	0.00
8	A_g	384	367	0.00
9	A_g	276	264	0.00
10	A_u	3171	3034	16.42
11	A_u	1344	1286	32.52
12	A_u	1250	1196	41.95
13	A_u	1174	1123	255.33
14	A_u	807	772	181.47
15	A_u	410	392	3.79
16	A_u	372	356	29.06
17	A_u	175	168	1.34
18	A_u	75	72	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.029	0.000	-1.156
H4	-1.029	0.000	1.156
F5	-0.666	-1.099	-1.207
F6	0.666	1.099	1.207
Cl7	-0.820	1.466	-1.360
Cl8	0.820	-1.466	1.360

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5306	1.1006	2.1797	1.3585	2.3540	1.7819	2.7087
C2	1.5306		2.1797	1.1006	2.3540	1.3585	2.7087	1.7819
H3	1.1006	2.1797		3.0954	2.0201	2.6317	2.3685	2.9192
H4	2.1797	1.1006	3.0954		2.6317	2.0201	2.9192	2.3685
F5	1.3585	2.3540	2.0201	2.6317		3.5257	2.5740	2.9885
F6	2.3540	1.3585	2.6317	2.0201	3.5257		2.9885	2.5740
Cl7	1.7819	2.7087	2.3685	2.9192	2.5740	2.9885		4.3222
Cl8	2.7087	1.7819	2.9192	2.3685	2.9885	2.5740	4.3222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.809	C1	C2	F6	108.986
C1	C2	Cl8	109.480	C2	C1	H3	110.809
C2	C1	F5	108.986	C2	C1	Cl7	109.480
H3	C1	F5	110.021	H3	C1	Cl7	108.170
H4	C2	F6	110.021	H4	C2	Cl8	108.170
F5	C1	Cl7	109.355	F6	C2	Cl8	109.355

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

using model chemistry: CCD/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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