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	hartrees
Energy at 0K	-1196.175423
Energy at 298.15K	-1196.178984
HF Energy	-1194.910532
Nuclear repulsion energy	377.111862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3021	0.00
2	A_g	1442	1380	0.00
3	A_g	1345	1287	0.00
4	A_g	1170	1120	0.00
5	A_g	1119	1071	0.00
6	A_g	862	825	0.00
7	A_g	530	508	0.00
8	A_g	385	369	0.00
9	A_g	275	263	0.00
10	A_u	3168	3032	7.12
11	A_u	1355	1297	17.45
12	A_u	1266	1212	34.48
13	A_u	1167	1117	235.32
14	A_u	813	778	187.57
15	A_u	412	394	4.04
16	A_u	377	361	25.76
17	A_u	175	167	0.75
18	A_u	75	72	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.013	0.000	-1.154
H4	-1.013	0.000	1.154
F5	-0.663	-1.095	-1.199
F6	0.663	1.095	1.199
Cl7	-0.825	1.450	-1.351
Cl8	0.825	-1.450	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5226	1.0866	2.1671	1.3529	2.3414	1.7698	2.6921
C2	1.5226		2.1671	1.0866	2.3414	1.3529	2.6921	1.7698
H3	1.0866	2.1671		3.0717	2.0023	2.6195	2.3495	2.9014
H4	2.1671	1.0866	3.0717		2.6195	2.0023	2.9014	2.3495
F5	1.3529	2.3414	2.0023	2.6195		3.5081	2.5550	2.9742
F6	2.3414	1.3529	2.6195	2.0023	3.5081		2.9742	2.5550
Cl7	1.7698	2.6921	2.3495	2.9014	2.5550	2.9742		4.2943
Cl8	2.6921	1.7698	2.9014	2.3495	2.9742	2.5550	4.2943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.214	C1	C2	F6	108.886
C1	C2	Cl8	109.477	C2	C1	H3	111.214
C2	C1	F5	108.886	C2	C1	Cl7	109.477
H3	C1	F5	109.852	H3	C1	Cl7	108.295
H4	C2	F6	109.852	H4	C2	Cl8	108.295
F5	C1	Cl7	109.086	F6	C2	Cl8	109.086

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

using model chemistry: CCD/aug-cc-pVTZ

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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