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	hartrees
Energy at 0K	-231.631653
Energy at 298.15K	-231.637934
HF Energy	-230.725002
Nuclear repulsion energy	203.535699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	3258	3077	0.00	337.14	0.10	0.19
2	A_1g	1017	960	0.00	53.00	0.08	0.15
3	A_2g	1356	1281	0.00	0.00	0.00	0.00
4	A_2u	700	661	81.16	0.00	0.00	0.00
5	B_1u	3224	3045	0.00	0.00	0.10	0.19
6	B_1u	1009	953	0.00	0.00	0.08	0.15
7	B_2g	988	933	0.00	0.00	0.75	0.86
8	B_2g	688	649	0.00	0.00	0.00	0.00
9	B_2u	1458	1377	0.00	0.00	0.00	0.00
10	B_2u	1178	1113	0.00	0.00	0.00	0.00
11	E_1g	873	824	0.00	3.48	0.75	0.86
11	E_1g	873	824	0.00	3.48	0.75	0.86
12	E_1u	3249	3069	20.10	0.00	0.00	0.00
12	E_1u	3249	3069	20.10	0.00	0.00	0.00
13	E_1u	1509	1425	9.19	0.00	0.00	0.00
13	E_1u	1509	1425	9.19	0.00	0.00	0.00
14	E_1u	1067	1008	3.40	0.00	0.00	0.00
14	E_1u	1067	1008	3.40	0.00	0.00	0.00
15	E_2g	3234	3054	0.00	114.88	0.75	0.86
15	E_2g	3234	3054	0.00	114.88	0.75	0.86
16	E_2g	1639	1548	0.00	8.29	0.75	0.86
16	E_2g	1639	1548	0.00	8.29	0.75	0.86
17	E_2g	1206	1139	0.00	8.96	0.75	0.86
17	E_2g	1206	1139	0.00	8.96	0.75	0.86
18	E_2g	605	571	0.00	3.22	0.75	0.86
18	E_2g	605	571	0.00	3.22	0.75	0.86
19	E_2u	953	900	0.00	0.00	0.00	0.00
19	E_2u	953	900	0.00	0.00	0.00	0.00
20	E_2u	406	383	0.00	0.00	0.00	0.00
20	E_2u	406	383	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.395
C2	1.208	0.697
C3	1.208	-0.697
C4	0.000	-1.395
C5	-1.208	-0.697
C6	-1.208	0.697
H7	0.000	2.478
H8	2.146	1.239
H9	2.146	-1.239
H10	0.000	-2.478
H11	-2.146	-1.239
H12	-2.146	1.239

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3945	2.4154	2.7890	2.4154	1.3945	1.0839	2.1520	3.3975	3.8729	3.3975	2.1520
C2	1.3945		1.3945	2.4154	2.7890	2.4154	2.1520	1.0839	2.1520	3.3975	3.8729	3.3975
C3	2.4154	1.3945		1.3945	2.4154	2.7890	3.3975	2.1520	1.0839	2.1520	3.3975	3.8729
C4	2.7890	2.4154	1.3945		1.3945	2.4154	3.8729	3.3975	2.1520	1.0839	2.1520	3.3975
C5	2.4154	2.7890	2.4154	1.3945		1.3945	3.3975	3.8729	3.3975	2.1520	1.0839	2.1520
C6	1.3945	2.4154	2.7890	2.4154	1.3945		2.1520	3.3975	3.8729	3.3975	2.1520	1.0839
H7	1.0839	2.1520	3.3975	3.8729	3.3975	2.1520		2.4784	4.2927	4.9568	4.2927	2.4784
H8	2.1520	1.0839	2.1520	3.3975	3.8729	3.3975	2.4784		2.4784	4.2927	4.9568	4.2927
H9	3.3975	2.1520	1.0839	2.1520	3.3975	3.8729	4.2927	2.4784		2.4784	4.2927	4.9568
H10	3.8729	3.3975	2.1520	1.0839	2.1520	3.3975	4.9568	4.2927	2.4784		2.4784	4.2927
H11	3.3975	3.8729	3.3975	2.1520	1.0839	2.1520	4.2927	4.9568	4.2927	2.4784		2.4784
H12	2.1520	3.3975	3.8729	3.3975	2.1520	1.0839	2.4784	4.2927	4.9568	4.2927	2.4784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	H8	120.000
C1	C6	C5	120.000	C1	C6	H12	120.000
C2	C1	C6	120.000	C2	C1	H7	120.000
C2	C3	C4	120.000	C2	C3	H9	120.000
C3	C2	H8	120.000	C3	C4	C5	120.000
C3	C4	H10	120.000	C4	C3	H9	120.000
C4	C5	C6	120.000	C4	C5	H11	120.000
C5	C4	H10	120.000	C5	C6	H12	120.000
C6	C1	H7	120.000	C6	C5	H11	120.000

All results from a given calculation for C₆H₆ (Benzene)

using model chemistry: MP2/6-31G(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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All results from a given calculation for C6H6 (Benzene)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₆ (Benzene)