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	hartrees
Energy at 0K	-826.453635
Energy at 298.15K	-826.454886
HF Energy	-824.064150
Nuclear repulsion energy	734.392141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1542	1464	0.00
2	A_1g	565	536	0.00
3	A_2g	787	747	0.00
4	A_2u	219	208	3.84
5	B_1u	1359	1290	0.00
6	B_1u	610	579	0.00
7	B_2g	633	601	0.00
8	B_2g	188	179	0.00
9	B_2u	1448	1374	0.00
10	B_2u	277	263	0.00
11	E_1g	377	358	0.00
11	E_1g	377	358	0.00
12	E_1u	1571	1492	355.77
12	E_1u	1571	1492	355.77
13	E_1u	1027	976	224.13
13	E_1u	1027	976	224.13
14	E_1u	316	300	1.29
14	E_1u	316	300	1.29
15	E_2g	1697	1612	0.00
15	E_2g	1697	1612	0.00
16	E_2g	1190	1130	0.00
16	E_2g	1190	1130	0.00
17	E_2g	445	423	0.00
17	E_2g	445	423	0.00
18	E_2g	267	253	0.00
18	E_2g	267	253	0.00
19	E_2u	644	612	0.00
19	E_2u	644	612	0.00
20	E_2u	138	131	0.00
20	E_2u	138	131	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.390
C2	1.204	0.695
C3	1.204	-0.695
C4	0.000	-1.390
C5	-1.204	-0.695
C6	-1.204	0.695
F7	0.000	2.718
F8	2.354	1.359
F9	2.354	-1.359
F10	0.000	-2.718
F11	-2.354	-1.359
F12	-2.354	1.359

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3899	2.4074	2.7798	2.4074	1.3899	1.3283	2.3542	3.6191	4.1081	3.6191	2.3542
C2	1.3899		1.3899	2.4074	2.7798	2.4074	2.3542	1.3283	2.3542	3.6191	4.1081	3.6191
C3	2.4074	1.3899		1.3899	2.4074	2.7798	3.6191	2.3542	1.3283	2.3542	3.6191	4.1081
C4	2.7798	2.4074	1.3899		1.3899	2.4074	4.1081	3.6191	2.3542	1.3283	2.3542	3.6191
C5	2.4074	2.7798	2.4074	1.3899		1.3899	3.6191	4.1081	3.6191	2.3542	1.3283	2.3542
C6	1.3899	2.4074	2.7798	2.4074	1.3899		2.3542	3.6191	4.1081	3.6191	2.3542	1.3283
F7	1.3283	2.3542	3.6191	4.1081	3.6191	2.3542		2.7182	4.7080	5.4364	4.7080	2.7182
F8	2.3542	1.3283	2.3542	3.6191	4.1081	3.6191	2.7182		2.7182	4.7080	5.4364	4.7080
F9	3.6191	2.3542	1.3283	2.3542	3.6191	4.1081	4.7080	2.7182		2.7182	4.7080	5.4364
F10	4.1081	3.6191	2.3542	1.3283	2.3542	3.6191	5.4364	4.7080	2.7182		2.7182	4.7080
F11	3.6191	4.1081	3.6191	2.3542	1.3283	2.3542	4.7080	5.4364	4.7080	2.7182		2.7182
F12	2.3542	3.6191	4.1081	3.6191	2.3542	1.3283	2.7182	4.7080	5.4364	4.7080	2.7182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	F8	120.000
C1	C6	C5	120.000	C1	C6	F12	120.000
C2	C1	C6	120.000	C2	C1	F7	120.000
C2	C3	C4	120.000	C2	C3	F9	120.000
C3	C2	F8	120.000	C3	C4	C5	120.000
C3	C4	F10	120.000	C4	C3	F9	120.000
C4	C5	C6	120.000	C4	C5	F11	120.000
C5	C4	F10	120.000	C5	C6	F12	120.000
C6	C1	F7	120.000	C6	C5	F11	120.000

All results from a given calculation for C₆F₆ (hexafluorobenzene)

using model chemistry: MP2/cc-pVTZ

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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All results from a given calculation for C6F6 (hexafluorobenzene)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)