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	hartrees
Energy at 0K	-231.536885
Energy at 298.15K	-231.543095
HF Energy	-230.713242
Nuclear repulsion energy	203.557540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	3305	3075	0.00
2	A_1g	1041	969	0.00
3	A_2g	1415	1316	0.00
4	A_2u	698	650	88.16
5	B_1u	3268	3041	0.00
6	B_1u	1028	956	0.00
7	B_2g	935	870	0.00
8	B_2g	540	502	0.00
9	B_2u	1335	1242	0.00
10	B_2u	1193	1110	0.00
11	E_1g	868	808	0.00
11	E_1g	868	808	0.00
12	E_1u	3294	3065	42.04
12	E_1u	3294	3065	42.04
13	E_1u	1566	1457	7.85
13	E_1u	1566	1457	7.85
14	E_1u	1092	1016	3.06
14	E_1u	1092	1016	3.06
15	E_2g	3278	3050	0.00
15	E_2g	3278	3050	0.00
16	E_2g	1705	1587	0.00
16	E_2g	1705	1587	0.00
17	E_2g	1233	1148	0.00
17	E_2g	1233	1148	0.00
18	E_2g	627	583	0.00
18	E_2g	627	583	0.00
19	E_2u	942	876	0.00
19	E_2u	942	876	0.00
20	E_2u	401	373	0.00
20	E_2u	401	373	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.396
C2	1.209	0.698
C3	1.209	-0.698
C4	0.000	-1.396
C5	-1.209	-0.698
C6	-1.209	0.698
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		1.3964	2.4187	2.7929	2.4187	1.3964	1.0811	2.1514	3.3982	3.8740	3.3982	2.1514
C2	1.3964		1.3964	2.4187	2.7929	2.4187	2.1514	1.0811	2.1514	3.3982	3.8740	3.3982
C3	2.4187	1.3964		1.3964	2.4187	2.7929	3.3982	2.1514	1.0811	2.1514	3.3982	3.8740
C4	2.7929	2.4187	1.3964		1.3964	2.4187	3.8740	3.3982	2.1514	1.0811	2.1514	3.3982
C5	2.4187	2.7929	2.4187	1.3964		1.3964	3.3982	3.8740	3.3982	2.1514	1.0811	2.1514
C6	1.3964	2.4187	2.7929	2.4187	1.3964		2.1514	3.3982	3.8740	3.3982	2.1514	1.0811
H7	1.0811	2.1514	3.3982	3.8740	3.3982	2.1514		2.4775	4.2912	4.9551	4.2912	2.4775
H8	2.1514	1.0811	2.1514	3.3982	3.8740	3.3982	2.4775		2.4775	4.2912	4.9551	4.2912
H9	3.3982	2.1514	1.0811	2.1514	3.3982	3.8740	4.2912	2.4775		2.4775	4.2912	4.9551
H10	3.8740	3.3982	2.1514	1.0811	2.1514	3.3982	4.9551	4.2912	2.4775		2.4775	4.2912
H11	3.3982	3.8740	3.3982	2.1514	1.0811	2.1514	4.2912	4.9551	4.2912	2.4775		2.4775
H12	2.1514	3.3982	3.8740	3.3982	2.1514	1.0811	2.4775	4.2912	4.9551	4.2912	2.4775

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: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₆ (Benzene)