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	hartrees
Energy at 0K	-1196.988429
Energy at 298.15K	-1196.991879
HF Energy	-1196.988429
Nuclear repulsion energy	375.794937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3132	3013	0.00
2	A_g	1399	1346	0.00
3	A_g	1287	1238	0.00
4	A_g	1148	1104	0.00
5	A_g	1094	1052	0.00
6	A_g	824	793	0.00
7	A_g	521	501	0.00
8	A_g	374	360	0.00
9	A_g	270	260	0.00
10	A_u	3143	3024	12.33
11	A_u	1307	1257	22.07
12	A_u	1210	1164	36.19
13	A_u	1157	1113	277.04
14	A_u	777	748	229.81
15	A_u	402	387	2.33
16	A_u	364	351	27.54
17	A_u	170	164	1.28
18	A_u	72	69	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.026	0.000	-1.157
H4	-1.026	0.000	1.157
F5	-0.674	-1.084	-1.209
F6	0.674	1.084	1.209
Cl7	-0.805	1.478	-1.346
Cl8	0.805	-1.478	1.346

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5230	1.0992	2.1755	1.3525	2.3477	1.7819	2.6971
C2	1.5230		2.1755	1.0992	2.3477	1.3525	2.6971	1.7819
H3	1.0992	2.1755		3.0923	2.0163	2.6262	2.3606	2.9152
H4	2.1755	1.0992	3.0923		2.6262	2.0163	2.9152	2.3606
F5	1.3525	2.3477	2.0163	2.6262		3.5160	2.5695	2.9780
F6	2.3477	1.3525	2.6262	2.0163	3.5160		2.9780	2.5695
Cl7	1.7819	2.6971	2.3606	2.9152	2.5695	2.9780		4.3103
Cl8	2.6971	1.7819	2.9152	2.3606	2.9780	2.5695	4.3103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.091	C1	C2	F6	109.318
C1	C2	Cl8	109.140	C2	C1	H3	111.091
C2	C1	F5	109.318	C2	C1	Cl7	109.140
H3	C1	F5	110.221	H3	C1	Cl7	107.671
H4	C2	F6	110.221	H4	C2	Cl8	107.671
F5	C1	Cl7	109.363	F6	C2	Cl8	109.363

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

using model chemistry: HSEh1PBE/cc-pVDZ

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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Number	Element	Mulliken
1	C	0.147
2	C	0.147
3	H	0.100
4	H	0.100
5	F	-0.173
6	F	-0.173
7	Cl	-0.073
8	Cl	-0.073

	x	y	z
x	5.193	-1.435	0.828
y	-1.435	7.526	-1.619
z	0.828	-1.619	5.799

<r²>	255.036
(<r²>)^1/2	15.970