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	hartrees
Energy at 0K	-675.083732
Energy at 298.15K	-675.086464
HF Energy	-675.083732
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1455	1380	0.00
2	A_1g	819	777	0.00
3	A_1g	349	331	0.00
4	A_1u	51	49	0.00
5	A_2u	1150	1091	295.63
6	A_2u	715	678	39.65
7	E_g	1293	1226	0.00
7	E_g	1292	1226	0.00
8	E_g	620	588	0.00
8	E_g	620	588	0.00
9	E_g	377	358	0.00
9	E_g	377	358	0.00
10	E_u	1303	1236	536.80
10	E_u	1303	1236	536.92
11	E_u	519	493	4.73
11	E_u	519	493	4.73
12	E_u	212	201	2.57
12	E_u	212	201	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
F3	0.000	1.261	1.200
F4	-1.092	-0.630	1.200
F5	1.092	-0.630	1.200
F6	0.000	-1.261	-1.200
F7	-1.092	0.630	-1.200
F8	1.092	0.630	-1.200

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5304	1.3336	1.3336	1.3336	2.3350	2.3350	2.3350
C2	1.5304		2.3350	2.3350	2.3350	1.3336	1.3336	1.3336
F3	1.3336	2.3350		2.1834	2.1834	3.4813	2.7115	2.7115
F4	1.3336	2.3350	2.1834		2.1834	2.7115	2.7115	3.4813
F5	1.3336	2.3350	2.1834	2.1834		2.7115	3.4813	2.7115
F6	2.3350	1.3336	3.4813	2.7115	2.7115		2.1834	2.1834
F7	2.3350	1.3336	2.7115	2.7115	3.4813	2.1834		2.1834
F8	2.3350	1.3336	2.7115	3.4813	2.7115	2.1834	2.1834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.042	C1	C2	F7	109.042
C1	C2	F8	109.042	C2	C1	F3	109.042
C2	C1	F4	109.042	C2	C1	F5	109.042
F3	C1	F4	109.897	F3	C1	F5	109.897
F4	C1	F5	109.897	F6	C2	F7	109.897
F6	C2	F8	109.897	F7	C2	F8	109.897

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: wB97X-D/6-31G*

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	0.753
2	C	0.753
3	F	-0.251
4	F	-0.251
5	F	-0.251
6	F	-0.251
7	F	-0.251
8	F	-0.251

	x	y	z
x	3.536	0.000	0.000
y	0.000	3.535	-0.001
z	0.000	-0.001	3.455

<r²>	197.809
(<r²>)^1/2	14.064

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)