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	hartrees
Energy at 0K	-1196.953415
Energy at 298.15K
HF Energy	-1196.648380
Nuclear repulsion energy	374.446952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3180	3180	0.00
2	A_g	1412	1412	0.00
3	A_g	1340	1340	0.00
4	A_g	1129	1129	0.00
5	A_g	1070	1070	0.00
6	A_g	841	841	0.00
7	A_g	516	516	0.00
8	A_g	374	374	0.00
9	A_g	271	271	0.00
10	A_u	3191	3191	7.34
11	A_u	1330	1330	22.33
12	A_u	1265	1265	35.74
13	A_u	1097	1097	269.70
14	A_u	786	786	223.63
15	A_u	401	401	3.76
16	A_u	375	375	30.30
17	A_u	173	173	1.08
18	A_u	74	74	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.010	0.000	-1.167
H4	-1.010	0.000	1.167
F5	-0.659	-1.125	-1.197
F6	0.659	1.125	1.197
Cl7	-0.852	1.437	-1.370
Cl8	0.852	-1.437	1.370

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5259	1.0881	2.1781	1.3737	2.3537	1.7775	2.7095
C2	1.5259		2.1781	1.0881	2.3537	1.3737	2.7095	1.7775
H3	1.0881	2.1781		3.0867	2.0130	2.6409	2.3611	2.9199
H4	2.1781	1.0881	3.0867		2.6409	2.0130	2.9199	2.3611
F5	1.3737	2.3537	2.0130	2.6409		3.5391	2.5748	2.9950
F6	2.3537	1.3737	2.6409	2.0130	3.5391		2.9950	2.5748
Cl7	1.7775	2.7095	2.3611	2.9199	2.5748	2.9950		4.3213
Cl8	2.7095	1.7775	2.9199	2.3611	2.9950	2.5748	4.3213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.771	C1	C2	F6	108.412
C1	C2	Cl8	109.983	C2	C1	H3	111.771
C2	C1	F5	108.412	C2	C1	Cl7	109.983
H3	C1	F5	109.155	H3	C1	Cl7	108.562
H4	C2	F6	109.155	H4	C2	Cl8	108.562
F5	C1	Cl7	108.913	F6	C2	Cl8	108.913

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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