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	hartrees
Energy at 0K	-1196.893911
Energy at 298.15K	-1196.897371
HF Energy	-1196.893911
Nuclear repulsion energy	377.459413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3122	2988	0.00
2	A_g	1410	1350	0.00
3	A_g	1306	1250	0.00
4	A_g	1167	1117	0.00
5	A_g	1100	1053	0.00
6	A_g	828	792	0.00
7	A_g	527	504	0.00
8	A_g	376	360	0.00
9	A_g	269	258	0.00
10	A_u	3135	3000	11.23
11	A_u	1331	1274	21.33
12	A_u	1224	1171	33.26
13	A_u	1188	1137	232.23
14	A_u	781	748	224.60
15	A_u	404	387	2.13
16	A_u	364	349	24.51
17	A_u	169	162	1.02
18	A_u	73	70	0.74

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	-0.677	-1.066	-1.209
F6	0.677	1.066	1.209
Cl7	-0.791	1.486	-1.332
Cl8	0.791	-1.486	1.332

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5244	1.0932	2.1712	1.3393	2.3409	1.7773	2.6872
C2	1.5244		2.1712	1.0932	2.3409	1.3393	2.6872	1.7773
H3	1.0932	2.1712		3.0813	2.0050	2.6152	2.3498	2.9058
H4	2.1712	1.0932	3.0813		2.6152	2.0050	2.9058	2.3498
F5	1.3393	2.3409	2.0050	2.6152		3.4962	2.5573	2.9647
F6	2.3409	1.3393	2.6152	2.0050	3.4962		2.9647	2.5573
Cl7	1.7773	2.6872	2.3498	2.9058	2.5573	2.9647		4.2936
Cl8	2.6872	1.7773	2.9058	2.3498	2.9647	2.5573	4.2936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.016	C1	C2	F6	109.486
C1	C2	Cl8	108.710	C2	C1	H3	111.016
C2	C1	F5	109.486	C2	C1	Cl7	108.710
H3	C1	F5	110.616	H3	C1	Cl7	107.488
H4	C2	F6	110.616	H4	C2	Cl8	107.488
F5	C1	Cl7	109.474	F6	C2	Cl8	109.474

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.048
2	C	0.048
3	H	0.184
4	H	0.184
5	F	-0.104
6	F	-0.104
7	Cl	-0.127
8	Cl	-0.127

	x	y	z
x	6.113	-1.258	0.869
y	-1.258	8.225	-1.554
z	0.869	-1.554	6.790

<r²>	252.978
(<r²>)^1/2	15.905