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	hartrees
Energy at 0K	-1195.756655
Energy at 298.15K	-1195.760120
HF Energy	-1194.777441
Nuclear repulsion energy	373.693663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3134	3067
2	A_g	1409	1379
3	A_g	1312	1284
4	A_g	1148	1124
5	A_g	1093	1070
6	A_g	836	818
7	A_g	517	506
8	A_g	375	367
9	A_g	272	266
10	A_u	3143	3077
11	A_u	1323	1295
12	A_u	1229	1203
13	A_u	1141	1117
14	A_u	784	767
15	A_u	402	393
16	A_u	366	358
17	A_u	172	169
18	A_u	73	72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.030	0.000	-1.160
H4	-1.030	0.000	1.160
F5	-0.671	-1.101	-1.211
F6	0.671	1.101	1.211
Cl7	-0.822	1.475	-1.358
Cl8	0.822	-1.475	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5332	1.1027	2.1847	1.3639	2.3605	1.7887	2.7134
C2	1.5332		2.1847	1.1027	2.3605	1.3639	2.7134	1.7887
H3	1.1027	2.1847		3.1028	2.0271	2.6385	2.3755	2.9253
H4	2.1847	1.1027	3.1028		2.6385	2.0271	2.9253	2.3755
F5	1.3639	2.3605	2.0271	2.6385		3.5375	2.5848	2.9937
F6	2.3605	1.3639	2.6385	2.0271	3.5375		2.9937	2.5848
Cl7	1.7887	2.7134	2.3755	2.9253	2.5848	2.9937		4.3328
Cl8	2.7134	1.7887	2.9253	2.3755	2.9937	2.5848	4.3328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.903	C1	C2	F6	108.995
C1	C2	Cl8	109.294	C2	C1	H3	110.903
C2	C1	F5	108.995	C2	C1	Cl7	109.294
H3	C1	F5	110.082	H3	C1	Cl7	108.131
H4	C2	F6	110.082	H4	C2	Cl8	108.131
F5	C1	Cl7	109.413	F6	C2	Cl8	109.413

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

using model chemistry: CCSD(T)/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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