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	hartrees
Energy at 0K	-1189.777643
Energy at 298.15K	-1189.780961
HF Energy	-1189.053150
Nuclear repulsion energy	370.558638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3146	3023	0.00
2	A_g	1432	1376	0.00
3	A_g	1364	1311	0.00
4	A_g	1118	1075	0.00
5	A_g	1056	1015	0.00
6	A_g	816	784	0.00
7	A_g	492	473	0.00
8	A_g	359	345	0.00
9	A_g	267	257	0.00
10	A_u	3160	3037	9.19
11	A_u	1354	1301	28.52
12	A_u	1303	1252	24.49
13	A_u	1131	1087	123.75
14	A_u	749	720	184.89
15	A_u	376	361	5.67
16	A_u	349	335	32.78
17	A_u	164	158	2.58
18	A_u	68	65	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.019	0.000	-1.154
H4	-1.019	0.000	1.154
F5	-0.710	-1.127	-1.205
F6	0.710	1.127	1.205
Cl7	-0.816	1.492	-1.354
Cl8	0.816	-1.492	1.354

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5336	1.0904	2.1745	1.4022	2.3793	1.7988	2.7182
C2	1.5336		2.1745	1.0904	2.3793	1.4022	2.7182	1.7988
H3	1.0904	2.1745		3.0793	2.0651	2.6321	2.3734	2.9251
H4	2.1745	1.0904	3.0793		2.6321	2.0651	2.9251	2.3734
F5	1.4022	2.3793	2.0651	2.6321		3.5920	2.6250	3.0014
F6	2.3793	1.4022	2.6321	2.0651	3.5920		3.0014	2.6250
Cl7	1.7988	2.7182	2.3734	2.9251	2.6250	3.0014		4.3470
Cl8	2.7182	1.7988	2.9251	2.3734	3.0014	2.6250	4.3470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.796	C1	C2	F6	108.191
C1	C2	Cl8	109.051	C2	C1	H3	110.796
C2	C1	F5	108.191	C2	C1	Cl7	109.051
H3	C1	F5	111.275	H3	C1	Cl7	107.945
H4	C2	F6	111.275	H4	C2	Cl8	107.945
F5	C1	Cl7	109.558	F6	C2	Cl8	109.558

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

using model chemistry: QCISD/3-21G*

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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