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	hartrees
Energy at 0K	-1196.926660
Energy at 298.15K	-1196.929949
HF Energy	-1196.926660
Nuclear repulsion energy	372.214287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3042	3014	0.00
2	A_g	1348	1335	0.00
3	A_g	1259	1248	0.00
4	A_g	1074	1065	0.00
5	A_g	1036	1026	0.00
6	A_g	776	769	0.00
7	A_g	500	495	0.00
8	A_g	355	352	0.00
9	A_g	259	257	0.00
10	A_u	3053	3026	13.86
11	A_u	1276	1265	14.87
12	A_u	1186	1175	38.80
13	A_u	1080	1070	265.61
14	A_u	723	716	258.32
15	A_u	387	383	1.62
16	A_u	355	352	28.13
17	A_u	166	165	1.41
18	A_u	67	67	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.022	0.000	-1.169
H4	-1.022	0.000	1.169
F5	-0.684	-1.094	-1.220
F6	0.684	1.094	1.220
Cl7	-0.815	1.493	-1.358
Cl8	0.815	-1.493	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5335	1.0985	2.1894	1.3674	2.3689	1.8010	2.7220
C2	1.5335		2.1894	1.0985	2.3689	1.3674	2.7220	1.8010
H3	1.0985	2.1894		3.1062	2.0271	2.6496	2.3751	2.9429
H4	2.1894	1.0985	3.1062		2.6496	2.0271	2.9429	2.3751
F5	1.3674	2.3689	2.0271	2.6496		3.5512	2.5940	3.0090
F6	2.3689	1.3674	2.6496	2.0271	3.5512		3.0090	2.5940
Cl7	1.8010	2.7220	2.3751	2.9429	2.5940	3.0090		4.3537
Cl8	2.7220	1.8010	2.9429	2.3751	3.0090	2.5940	4.3537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.499	C1	C2	F6	109.361
C1	C2	Cl8	109.170	C2	C1	H3	111.499
C2	C1	F5	109.361	C2	C1	Cl7	109.170
H3	C1	F5	110.107	H3	C1	Cl7	107.509
H4	C2	F6	110.107	H4	C2	Cl8	107.509
F5	C1	Cl7	109.146	F6	C2	Cl8	109.146

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

using model chemistry: PBEPBE/6-311G**

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	0.005
2	C	0.005
3	H	0.201
4	H	0.201
5	F	-0.168
6	F	-0.168
7	Cl	-0.038
8	Cl	-0.038

	x	y	z
x	5.529	-1.736	1.040
y	-1.736	8.430	-1.988
z	1.040	-1.988	6.422

<r²>	260.172
(<r²>)^1/2	16.130