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	hartrees
Energy at 0K	-1195.614447
Energy at 298.15K	-1195.618002
HF Energy	-1194.718499
Nuclear repulsion energy	376.731091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3197	3012	0.00
2	A_g	1448	1365	0.00
3	A_g	1383	1303	0.00
4	A_g	1170	1102	0.00
5	A_g	1122	1057	0.00
6	A_g	879	828	0.00
7	A_g	529	499	0.00
8	A_g	386	364	0.00
9	A_g	280	264	0.00
10	A_u	3208	3022	12.28
11	A_u	1370	1291	38.92
12	A_u	1294	1219	29.40
13	A_u	1154	1087	225.33
14	A_u	824	777	197.54
15	A_u	411	387	4.12
16	A_u	378	356	31.19
17	A_u	179	169	1.43
18	A_u	83	78	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.017	0.000	-1.153
H4	-1.017	0.000	1.153
F5	-0.664	-1.118	-1.189
F6	0.664	1.118	1.189
Cl7	-0.835	1.437	-1.351
Cl8	0.835	-1.437	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5190	1.0905	2.1660	1.3694	2.3425	1.7645	2.6865
C2	1.5190		2.1660	1.0905	2.3425	1.3694	2.6865	1.7645
H3	1.0905	2.1660		3.0747	2.0193	2.6188	2.3529	2.8928
H4	2.1660	1.0905	3.0747		2.6188	2.0193	2.8928	2.3529
F5	1.3694	2.3425	2.0193	2.6188		3.5238	2.5660	2.9668
F6	2.3425	1.3694	2.6188	2.0193	3.5238		2.9668	2.5660
Cl7	1.7645	2.6865	2.3529	2.8928	2.5660	2.9668		4.2842
Cl8	2.6865	1.7645	2.8928	2.3529	2.9668	2.5660	4.2842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.144	C1	C2	F6	108.280
C1	C2	Cl8	109.585	C2	C1	H3	111.144
C2	C1	F5	108.280	C2	C1	Cl7	109.585
H3	C1	F5	109.831	H3	C1	Cl7	108.697
H4	C2	F6	109.831	H4	C2	Cl8	108.697
F5	C1	Cl7	109.284	F6	C2	Cl8	109.284

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

using model chemistry: MP2=FULL/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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