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	hartrees
Energy at 0K	-1191.785938
Energy at 298.15K	-1191.789173
HF Energy	-1191.785938
Nuclear repulsion energy	370.540712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3151	3031	0.00
2	A_g	1416	1362	0.00
3	A_g	1332	1281	0.00
4	A_g	1109	1067	0.00
5	A_g	1038	998	0.00
6	A_g	777	747	0.00
7	A_g	489	470	0.00
8	A_g	346	333	0.00
9	A_g	262	252	0.00
10	A_u	3167	3046	9.72
11	A_u	1334	1283	19.15
12	A_u	1280	1231	30.40
13	A_u	1130	1087	156.35
14	A_u	714	687	236.52
15	A_u	366	352	4.97
16	A_u	346	332	30.03
17	A_u	162	156	2.54
18	A_u	64	62	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.017	0.000	-1.150
H4	-1.017	0.000	1.150
F5	-0.726	-1.096	-1.214
F6	0.726	1.096	1.214
Cl7	-0.785	1.532	-1.336
Cl8	0.785	-1.532	1.336

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5273	1.0882	2.1672	1.3897	2.3746	1.8137	2.7148
C2	1.5273		2.1672	1.0882	2.3746	1.3897	2.7148	1.8137
H3	1.0882	2.1672		3.0706	2.0602	2.6218	2.3726	2.9289
H4	2.1672	1.0882	3.0706		2.6218	2.0602	2.9289	2.3726
F5	1.3897	2.3746	2.0602	2.6218		3.5787	2.6313	2.9955
F6	2.3746	1.3897	2.6218	2.0602	3.5787		2.9955	2.6313
Cl7	1.8137	2.7148	2.3726	2.9289	2.6313	2.9955		4.3574
Cl8	2.7148	1.8137	2.9289	2.3726	2.9955	2.6313	4.3574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.790	C1	C2	F6	108.898
C1	C2	Cl8	108.391	C2	C1	H3	110.790
C2	C1	F5	108.898	C2	C1	Cl7	108.391
H3	C1	F5	111.919	H3	C1	Cl7	107.023
H4	C2	F6	111.919	H4	C2	Cl8	107.023
F5	C1	Cl7	109.746	F6	C2	Cl8	109.746

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

using model chemistry: B3LYP/3-21G*

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	-0.015
2	C	-0.015
3	H	0.274
4	H	0.274
5	F	-0.254
6	F	-0.254
7	Cl	-0.004
8	Cl	-0.004

	x	y	z
x	4.837	-1.405	0.909
y	-1.405	7.584	-1.736
z	0.909	-1.736	5.309

<r²>	260.946
(<r²>)^1/2	16.154