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	hartrees
Energy at 0K	-1195.860632
Energy at 298.15K	-1195.864154
HF Energy	-1194.747874
Nuclear repulsion energy	377.827808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	2992	0.00
2	A_g	1428	1348	0.00
3	A_g	1335	1261	0.00
4	A_g	1172	1107	0.00
5	A_g	1116	1054	0.00
6	A_g	853	806	0.00
7	A_g	528	499	0.00
8	A_g	382	361	0.00
9	A_g	275	260	0.00
10	A_u	3180	3004	8.42
11	A_u	1354	1279	23.10
12	A_u	1249	1180	35.08
13	A_u	1179	1114	216.05
14	A_u	808	763	202.70
15	A_u	407	385	2.71
16	A_u	366	346	25.22
17	A_u	173	164	1.07
18	A_u	79	75	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.018	0.000	-1.153
H4	-1.018	0.000	1.153
F5	-0.674	-1.080	-1.201
F6	0.674	1.080	1.201
Cl7	-0.807	1.471	-1.328
Cl8	0.807	-1.471	1.328

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5222	1.0906	2.1677	1.3472	2.3392	1.7712	2.6798
C2	1.5222		2.1677	1.0906	2.3392	1.3472	2.6798	1.7712
H3	1.0906	2.1677		3.0757	2.0077	2.6128	2.3505	2.8923
H4	2.1677	1.0906	3.0757		2.6128	2.0077	2.8923	2.3505
F5	1.3472	2.3392	2.0077	2.6128		3.5008	2.5582	2.9570
F6	2.3392	1.3472	2.6128	2.0077	3.5008		2.9570	2.5582
Cl7	1.7712	2.6798	2.3505	2.8923	2.5582	2.9570		4.2801
Cl8	2.6798	1.7712	2.8923	2.3505	2.9570	2.5582	4.2801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.050	C1	C2	F6	109.064
C1	C2	Cl8	108.681	C2	C1	H3	111.050
C2	C1	F5	109.064	C2	C1	Cl7	108.681
H3	C1	F5	110.451	H3	C1	Cl7	108.069
H4	C2	F6	110.451	H4	C2	Cl8	108.069
F5	C1	Cl7	109.491	F6	C2	Cl8	109.491

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

using model chemistry: MP2/6-31G(2df,p)

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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