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	hartrees
Energy at 0K	-1196.686995
Energy at 298.15K	-1196.690248
HF Energy	-1196.509579
Nuclear repulsion energy	364.701459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3222	0.00
2	A_g	1418	1418	0.00
3	A_g	1324	1324	0.00
4	A_g	1145	1145	0.00
5	A_g	1040	1040	0.00
6	A_g	771	771	0.00
7	A_g	494	494	0.00
8	A_g	346	346	0.00
9	A_g	257	257	0.00
10	A_u	3234	3234	2.73
11	A_u	1326	1326	14.75
12	A_u	1261	1261	38.40
13	A_u	1075	1075	184.75
14	A_u	710	710	211.14
15	A_u	368	368	8.04
16	A_u	354	354	38.66
17	A_u	164	164	2.50
18	A_u	72	72	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
C2	0.000	0.000	0.757
H3	0.997	0.000	-1.187
H4	-0.997	0.000	1.187
F5	-0.723	-1.124	-1.207
F6	0.723	1.124	1.207
Cl7	-0.866	1.530	-1.376
Cl8	0.866	-1.530	1.376

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5143	1.0855	2.1845	1.4099	2.3754	1.8632	2.7637
C2	1.5143		2.1845	1.0855	2.3754	1.4099	2.7637	1.8632
H3	1.0855	2.1845		3.0996	2.0548	2.6581	2.4176	2.9870
H4	2.1845	1.0855	3.0996		2.6581	2.0548	2.9870	2.4176
F5	1.4099	2.3754	2.0548	2.6581		3.6011	2.6626	3.0590
F6	2.3754	1.4099	2.6581	2.0548	3.6011		3.0590	2.6626
Cl7	1.8632	2.7637	2.4176	2.9870	2.6626	3.0590		4.4638
Cl8	2.7637	1.8632	2.9870	2.4176	3.0590	2.6626	4.4638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.300	C1	C2	F6	108.594
C1	C2	Cl8	109.389	C2	C1	H3	113.300
C2	C1	F5	108.594	C2	C1	Cl7	109.389
H3	C1	F5	110.175	H3	C1	Cl7	107.179
H4	C2	F6	110.175	H4	C2	Cl8	107.179
F5	C1	Cl7	108.076	F6	C2	Cl8	108.076

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

using model chemistry: B2PLYP=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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