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	hartrees
Energy at 0K	-1195.870510
Energy at 298.15K	-1195.873902
HF Energy	-1194.805552
Nuclear repulsion energy	371.984542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3149	3076
2	A_g	1429	1396
3	A_g	1365	1334
4	A_g	1151	1125
5	A_g	1104	1078
6	A_g	860	841
7	A_g	520	508
8	A_g	378	369
9	A_g	275	269
10	A_u	3160	3087
11	A_u	1352	1321
12	A_u	1274	1244
13	A_u	1133	1107
14	A_u	803	784
15	A_u	402	393
16	A_u	372	364
17	A_u	175	171
18	A_u	80	78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.021	0.000	-1.180
H4	-1.021	0.000	1.180
F5	-0.675	-1.128	-1.207
F6	0.675	1.128	1.207
Cl7	-0.856	1.453	-1.366
Cl8	0.856	-1.453	1.366

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5335	1.1011	2.1977	1.3863	2.3712	1.7901	2.7191
C2	1.5335		2.1977	1.1011	2.3712	1.3863	2.7191	1.7901
H3	1.1011	2.1977		3.1198	2.0371	2.6619	2.3812	2.9358
H4	2.1977	1.1011	3.1198		2.6619	2.0371	2.9358	2.3812
F5	1.3863	2.3712	2.0371	2.6619		3.5690	2.5927	3.0115
F6	2.3712	1.3863	2.6619	2.0371	3.5690		3.0115	2.5927
Cl7	1.7901	2.7191	2.3812	2.9358	2.5927	3.0115		4.3411
Cl8	2.7191	1.7901	2.9358	2.3812	3.0115	2.5927	4.3411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.016	C1	C2	F6	108.501
C1	C2	Cl8	109.558	C2	C1	H3	112.016
C2	C1	F5	108.501	C2	C1	Cl7	109.558
H3	C1	F5	109.425	H3	C1	Cl7	108.534
H4	C2	F6	109.425	H4	C2	Cl8	108.534
F5	C1	Cl7	108.754	F6	C2	Cl8	108.754

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

using model chemistry: MP4/aug-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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