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	hartrees
Energy at 0K	-1196.929564
Energy at 298.15K	-1196.933037
HF Energy	-1196.929564
Nuclear repulsion energy	376.226002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3002	0.00
2	A_g	1422	1357	0.00
3	A_g	1330	1269	0.00
4	A_g	1159	1106	0.00
5	A_g	1107	1057	0.00
6	A_g	835	797	0.00
7	A_g	525	501	0.00
8	A_g	376	359	0.00
9	A_g	272	259	0.00
10	A_u	3157	3013	14.15
11	A_u	1339	1278	29.93
12	A_u	1246	1189	36.50
13	A_u	1178	1124	247.81
14	A_u	783	747	235.28
15	A_u	404	385	2.68
16	A_u	369	352	29.56
17	A_u	172	164	1.45
18	A_u	77	73	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.020	0.000	-1.154
H4	-1.020	0.000	1.154
F5	-0.676	-1.084	-1.203
F6	0.676	1.084	1.203
Cl7	-0.806	1.475	-1.346
Cl8	0.806	-1.475	1.346

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5243	1.0925	2.1707	1.3513	2.3441	1.7797	2.6962
C2	1.5243		2.1707	1.0925	2.3441	1.3513	2.6962	1.7797
H3	1.0925	2.1707		3.0802	2.0129	2.6175	2.3554	2.9105
H4	2.1707	1.0925	3.0802		2.6175	2.0129	2.9105	2.3554
F5	1.3513	2.3441	2.0129	2.6175		3.5097	2.5664	2.9745
F6	2.3441	1.3513	2.6175	2.0129	3.5097		2.9745	2.5664
Cl7	1.7797	2.6962	2.3554	2.9105	2.5664	2.9745		4.3070
Cl8	2.6962	1.7797	2.9105	2.3554	2.9745	2.5664	4.3070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.025	C1	C2	F6	109.061
C1	C2	Cl8	109.140	C2	C1	H3	111.025
C2	C1	F5	109.061	C2	C1	Cl7	109.140
H3	C1	F5	110.463	H3	C1	Cl7	107.774
H4	C2	F6	110.463	H4	C2	Cl8	107.774
F5	C1	Cl7	109.346	F6	C2	Cl8	109.346

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.065
2	C	0.065
3	H	0.198
4	H	0.198
5	F	-0.252
6	F	-0.252
7	Cl	-0.010
8	Cl	-0.010

	x	y	z
x	5.324	-1.427	0.887
y	-1.427	7.575	-1.641
z	0.887	-1.641	5.856

<r²>	254.578
(<r²>)^1/2	15.956