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	hartrees
Energy at 0K	-1189.789486
Energy at 298.15K	-1189.792855
HF Energy	-1189.053954
Nuclear repulsion energy	371.582164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3188	3188	0.00
2	A_g	1449	1449	0.00
3	A_g	1378	1378	0.00
4	A_g	1139	1139	0.00
5	A_g	1072	1072	0.00
6	A_g	826	826	0.00
7	A_g	500	500	0.00
8	A_g	364	364	0.00
9	A_g	271	271	0.00
10	A_u	3202	3202	7.90
11	A_u	1369	1369	29.12
12	A_u	1315	1315	24.19
13	A_u	1153	1153	124.83
14	A_u	762	762	187.28
15	A_u	382	382	6.25
16	A_u	353	353	33.63
17	A_u	166	166	2.45
18	A_u	70	70	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.017	0.000	-1.151
H4	-1.017	0.000	1.151
F5	-0.708	-1.123	-1.201
F6	0.708	1.123	1.201
Cl7	-0.816	1.487	-1.351
Cl8	0.816	-1.487	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5302	1.0875	2.1692	1.3969	2.3723	1.7944	2.7120
C2	1.5302		2.1692	1.0875	2.3723	1.3969	2.7120	1.7944
H3	1.0875	2.1692		3.0716	2.0583	2.6247	2.3686	2.9174
H4	2.1692	1.0875	3.0716		2.6247	2.0583	2.9174	2.3686
F5	1.3969	2.3723	2.0583	2.6247		3.5800	2.6158	2.9950
F6	2.3723	1.3969	2.6247	2.0583	3.5800		2.9950	2.6158
Cl7	1.7944	2.7120	2.3686	2.9174	2.6158	2.9950		4.3369
Cl8	2.7120	1.7944	2.9174	2.3686	2.9950	2.6158	4.3369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.788	C1	C2	F6	108.193
C1	C2	Cl8	109.062	C2	C1	H3	110.788
C2	C1	F5	108.193	C2	C1	Cl7	109.062
H3	C1	F5	111.276	H3	C1	Cl7	108.025
H4	C2	F6	111.276	H4	C2	Cl8	108.025
F5	C1	Cl7	109.471	F6	C2	Cl8	109.471

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

using model chemistry: MP3=FULL/3-21G*

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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