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	hartrees
Energy at 0K	-1195.094355
Energy at 298.15K	-1195.097626
HF Energy	-1194.577188
Nuclear repulsion energy	363.035517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3219	3080	0.00
2	A_g	1424	1363	0.00
3	A_g	1341	1283	0.00
4	A_g	1153	1103	0.00
5	A_g	1032	988	0.00
6	A_g	785	751	0.00
7	A_g	491	470	0.00
8	A_g	349	334	0.00
9	A_g	258	247	0.00
10	A_u	3231	3091	3.15
11	A_u	1326	1269	21.01
12	A_u	1277	1221	32.75
13	A_u	1058	1012	162.39
14	A_u	720	689	180.04
15	A_u	369	353	8.44
16	A_u	353	338	39.43
17	A_u	166	159	2.44
18	A_u	74	71	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.000	0.000	-1.190
H4	-1.000	0.000	1.190
F5	-0.717	-1.150	-1.203
F6	0.717	1.150	1.203
Cl7	-0.887	1.512	-1.394
Cl8	0.887	-1.512	1.394

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5191	1.0888	2.1914	1.4262	2.3854	1.8643	2.7769
C2	1.5191		2.1914	1.0888	2.3854	1.4262	2.7769	1.8643
H3	1.0888	2.1914		3.1093	2.0668	2.6707	2.4267	2.9963
H4	2.1914	1.0888	3.1093		2.6707	2.0668	2.9963	2.4267
F5	1.4262	2.3854	2.0668	2.6707		3.6250	2.6740	3.0746
F6	2.3854	1.4262	2.6707	2.0668	3.6250		3.0746	2.6740
Cl7	1.8643	2.7769	2.4267	2.9963	2.6740	3.0746		4.4795
Cl8	2.7769	1.8643	2.9963	2.4267	3.0746	2.6740	4.4795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.317	C1	C2	F6	108.130
C1	C2	Cl8	109.902	C2	C1	H3	113.317
C2	C1	F5	108.130	C2	C1	Cl7	109.902
H3	C1	F5	109.798	H3	C1	Cl7	107.603
H4	C2	F6	109.798	H4	C2	Cl8	107.603
F5	C1	Cl7	107.969	F6	C2	Cl8	107.969

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

using model chemistry: MP2/6-31G

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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