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	hartrees
Energy at 0K	-1197.118377
Energy at 298.15K
HF Energy	-1196.755498
Nuclear repulsion energy	375.033438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	3167	0.00
2	A_g	1434	1434	0.00
3	A_g	1352	1352	0.00
4	A_g	1136	1136	0.00
5	A_g	1089	1089	0.00
6	A_g	834	834	0.00
7	A_g	522	522	0.00
8	A_g	376	376	0.00
9	A_g	273	273	0.00
10	A_u	3179	3179	15.43
11	A_u	1357	1357	26.18
12	A_u	1271	1271	42.54
13	A_u	1125	1125	269.79
14	A_u	774	774	238.51
15	A_u	405	405	2.70
16	A_u	376	376	30.61
17	A_u	175	175	1.56
18	A_u	74	74	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.012	0.000	-1.158
H4	-1.012	0.000	1.158
F5	-0.665	-1.099	-1.206
F6	0.665	1.099	1.206
Cl7	-0.827	1.464	-1.358
Cl8	0.827	-1.464	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5238	1.0873	2.1707	1.3593	2.3500	1.7841	2.7057
C2	1.5238		2.1707	1.0873	2.3500	1.3593	2.7057	1.7841
H3	1.0873	2.1707		3.0768	2.0059	2.6303	2.3597	2.9168
H4	2.1707	1.0873	3.0768		2.6303	2.0059	2.9168	2.3597
F5	1.3593	2.3500	2.0059	2.6303		3.5239	2.5730	2.9885
F6	2.3500	1.3593	2.6303	2.0059	3.5239		2.9885	2.5730
Cl7	1.7841	2.7057	2.3597	2.9168	2.5730	2.9885		4.3227
Cl8	2.7057	1.7841	2.9168	2.3597	2.9885	2.5730	4.3227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.378	C1	C2	F6	109.063
C1	C2	Cl8	109.514	C2	C1	H3	111.378
C2	C1	F5	109.063	C2	C1	Cl7	109.514
H3	C1	F5	109.649	H3	C1	Cl7	108.067
H4	C2	F6	109.649	H4	C2	Cl8	108.067
F5	C1	Cl7	109.137	F6	C2	Cl8	109.137

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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