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	hartrees
Energy at 0K	-1191.455349
Energy at 298.15K	-1191.458608
HF Energy	-1191.455349
Nuclear repulsion energy	367.080811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3217	3217	0.00
2	A_g	1436	1436	0.00
3	A_g	1308	1308	0.00
4	A_g	1155	1155	0.00
5	A_g	1074	1074	0.00
6	A_g	768	768	0.00
7	A_g	493	493	0.00
8	A_g	343	343	0.00
9	A_g	259	259	0.00
10	A_u	3231	3231	2.18
11	A_u	1338	1338	12.92
12	A_u	1257	1257	40.33
13	A_u	1173	1173	187.21
14	A_u	717	717	224.40
15	A_u	364	364	14.70
16	A_u	344	344	29.15
17	A_u	163	163	3.22
18	A_u	68	68	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.006	0.000	-1.166
H4	-1.006	0.000	1.166
F5	-0.767	-1.039	-1.229
F6	0.767	1.039	1.229
Cl7	-0.771	1.622	-1.301
Cl8	0.771	-1.622	1.301

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5127	1.0860	2.1699	1.3756	2.3686	1.8765	2.7306
C2	1.5127		2.1699	1.0860	2.3686	1.3756	2.7306	1.8765
H3	1.0860	2.1699		3.0801	2.0558	2.6221	2.4090	2.9620
H4	2.1699	1.0860	3.0801		2.6221	2.0558	2.9620	2.4090
F5	1.3756	2.3686	2.0558	2.6221		3.5660	2.6625	3.0170
F6	2.3686	1.3756	2.6221	2.0558	3.5660		3.0170	2.6625
Cl7	1.8765	2.7306	2.4090	2.9620	2.6625	3.0170		4.4347
Cl8	2.7306	1.8765	2.9620	2.4090	3.0170	2.6625	4.4347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.190	C1	C2	F6	110.093
C1	C2	Cl8	106.864	C2	C1	H3	112.190
C2	C1	F5	110.093	C2	C1	Cl7	106.864
H3	C1	F5	112.740	H3	C1	Cl7	105.704
H4	C2	F6	112.740	H4	C2	Cl8	105.704
F5	C1	Cl7	108.940	F6	C2	Cl8	108.940

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

using model chemistry: wB97X-D/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	-0.086
2	C	-0.086
3	H	0.314
4	H	0.314
5	F	-0.253
6	F	-0.253
7	Cl	0.025
8	Cl	0.025

	x	y	z
x	4.290	-1.724	0.949
y	-1.724	7.941	-1.951
z	0.949	-1.951	4.641

<r²>	266.944
(<r²>)^1/2	16.338