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	hartrees
Energy at 0K	-231.457734
Energy at 298.15K	-231.463826
HF Energy	-230.701831
Nuclear repulsion energy	203.155534

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	3250	3065	0.00	345.74	0.10	0.19
2	A_1g	1028	969	0.00	50.07	0.10	0.19
3	A_2g	1391	1312	0.00	0.00	0.41	0.58
4	A_2u	686	647	99.70	0.00	0.00	0.00
5	B_1u	3216	3033	0.00	0.00	0.75	0.86
6	B_1u	1023	965	0.00	0.00	0.00	0.00
7	B_2g	899	848	0.00	0.00	0.75	0.86
8	B_2g	506	477	0.00	0.00	0.75	0.86
9	B_2u	1464	1381	0.00	0.00	0.75	0.86
10	B_2u	1210	1141	0.00	0.00	0.75	0.86
11	E_1g	845	797	0.00	5.88	0.75	0.86
11	E_1g	845	797	0.00	5.88	0.75	0.86
12	E_1u	3241	3056	34.27	0.00	0.00	0.00
12	E_1u	3241	3056	34.27	0.00	0.31	0.00
13	E_1u	1540	1452	9.68	0.00	0.00	0.00
13	E_1u	1540	1452	9.68	0.00	0.00	0.00
14	E_1u	1084	1022	3.79	0.00	0.00	0.00
14	E_1u	1084	1022	3.79	0.00	0.00	0.00
15	E_2g	3226	3042	0.00	122.87	0.75	0.86
15	E_2g	3226	3042	0.00	122.87	0.75	0.86
16	E_2g	1672	1577	0.00	9.67	0.75	0.86
16	E_2g	1672	1577	0.00	9.67	0.75	0.86
17	E_2g	1230	1160	0.00	9.42	0.75	0.86
17	E_2g	1230	1160	0.00	9.42	0.75	0.86
18	E_2g	620	585	0.00	3.43	0.75	0.86
18	E_2g	620	585	0.00	3.43	0.75	0.86
19	E_2u	895	844	0.00	0.00	0.00	0.00
19	E_2u	895	844	0.00	0.00	0.00	0.00
20	E_2u	397	375	0.00	0.00	0.00	0.00
20	E_2u	397	375	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	0.698
C3	1.210	-0.698
C4	0.000	-1.397
C5	-1.210	-0.698
C6	-1.210	0.698
H7	0.000	2.484
H8	2.151	1.242
H9	2.151	-1.242
H10	0.000	-2.484
H11	-2.151	-1.242
H12	-2.151	1.242

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3968	2.4193	2.7936	2.4193	1.3968	1.0874	2.1569	3.4047	3.8810	3.4047	2.1569
C2	1.3968		1.3968	2.4193	2.7935	2.4193	2.1569	1.0874	2.1569	3.4047	3.8810	3.4047
C3	2.4193	1.3968		1.3968	2.4193	2.7935	3.4047	2.1569	1.0874	2.1569	3.4047	3.8810
C4	2.7936	2.4193	1.3968		1.3968	2.4193	3.8810	3.4047	2.1569	1.0874	2.1569	3.4047
C5	2.4193	2.7935	2.4193	1.3968		1.3968	3.4047	3.8810	3.4047	2.1569	1.0874	2.1569
C6	1.3968	2.4193	2.7935	2.4193	1.3968		2.1569	3.4047	3.8810	3.4047	2.1569	1.0874
H7	1.0874	2.1569	3.4047	3.8810	3.4047	2.1569		2.4842	4.3028	4.9684	4.3028	2.4842
H8	2.1569	1.0874	2.1569	3.4047	3.8810	3.4047	2.4842		2.4842	4.3028	4.9684	4.3028
H9	3.4047	2.1569	1.0874	2.1569	3.4047	3.8810	4.3028	2.4842		2.4842	4.3028	4.9684
H10	3.8810	3.4047	2.1569	1.0874	2.1569	3.4047	4.9684	4.3028	2.4842		2.4842	4.3028
H11	3.4047	3.8810	3.4047	2.1569	1.0874	2.1569	4.3028	4.9684	4.3028	2.4842		2.4842
H12	2.1569	3.4047	3.8810	3.4047	2.1569	1.0874	2.4842	4.3028	4.9684	4.3028	2.4842

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*

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*

States and conformations

All results from a given calculation for C₆H₆ (Benzene)