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	hartrees
Energy at 0K	-1196.942279
Energy at 298.15K	-1196.945732
HF Energy	-1196.648343
Nuclear repulsion energy	374.317330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3180	3028	0.00
2	A_g	1411	1344	0.00
3	A_g	1339	1276	0.00
4	A_g	1129	1075	0.00
5	A_g	1069	1018	0.00
6	A_g	841	801	0.00
7	A_g	515	491	0.00
8	A_g	373	356	0.00
9	A_g	270	257	0.00
10	A_u	3191	3039	7.34
11	A_u	1330	1266	22.39
12	A_u	1264	1204	35.68
13	A_u	1096	1044	269.88
14	A_u	785	748	224.05
15	A_u	400	381	3.68
16	A_u	375	357	30.45
17	A_u	173	164	1.09
18	A_u	74	71	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.011	0.000	-1.167
H4	-1.011	0.000	1.167
F5	-0.659	-1.125	-1.197
F6	0.659	1.125	1.197
Cl7	-0.852	1.438	-1.371
Cl8	0.852	-1.438	1.371

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5265	1.0884	2.1789	1.3742	2.3546	1.7781	2.7104
C2	1.5265		2.1789	1.0884	2.3546	1.3742	2.7104	1.7781
H3	1.0884	2.1789		3.0877	2.0136	2.6419	2.3616	2.9211
H4	2.1789	1.0884	3.0877		2.6419	2.0136	2.9211	2.3616
F5	1.3742	2.3546	2.0136	2.6419		3.5404	2.5758	2.9959
F6	2.3546	1.3742	2.6419	2.0136	3.5404		2.9959	2.5758
Cl7	1.7781	2.7104	2.3616	2.9211	2.5758	2.9959		4.3227
Cl8	2.7104	1.7781	2.9211	2.3616	2.9959	2.5758	4.3227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.776	C1	C2	F6	108.419
C1	C2	Cl8	109.978	C2	C1	H3	111.776
C2	C1	F5	108.419	C2	C1	Cl7	109.978
H3	C1	F5	109.159	H3	C1	Cl7	108.542
H4	C2	F6	109.159	H4	C2	Cl8	108.542
F5	C1	Cl7	108.923	F6	C2	Cl8	108.923

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

using model chemistry: B2PLYP/6-31+G**

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	-0.003
2	C	-0.003
3	H	0.208
4	H	0.208
5	F	-0.250
6	F	-0.250
7	Cl	0.045
8	Cl	0.045

	x	y	z
x	6.573	-1.244	0.938
y	-1.244	8.560	-1.468
z	0.938	-1.468	7.064

<r²>	257.612
(<r²>)^1/2	16.050