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	hartrees
Energy at 0K	-36.773366
Energy at 298.15K	-36.779440
HF Energy	-36.311316
Nuclear repulsion energy	100.091508

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	3202	3094	0.00	323.92	0.24	0.38
2	A_1g	968	935	0.00	64.71	0.13	0.23
3	A_2g	1372	1325	0.00	0.00	0.00	0.00
4	A_2u	695	671	186.89	0.00	0.00	0.00
5	B_1u	3131	3025	0.00	0.00	0.00	0.00
6	B_1u	1004	970	0.00	0.00	0.00	0.00
7	B_2g	869	839	0.00	0.00	0.75	0.86
8	B_2g	591	571	0.00	0.00	0.75	0.86
9	B_2u	1386	1339	0.00	0.00	0.00	0.00
10	B_2u	1178	1139	0.00	0.00	0.00	0.00
11	E_1g	835	807	0.00	9.10	0.75	0.86
11	E_1g	835	807	0.00	9.10	0.75	0.86
12	E_1u	3182	3075	86.90	0.00	0.00	0.00
12	E_1u	3182	3075	86.90	0.00	0.00	0.00
13	E_1u	1480	1430	9.79	0.00	0.00	0.00
13	E_1u	1480	1430	9.79	0.00	0.00	0.00
14	E_1u	1041	1006	7.03	0.00	0.00	0.00
14	E_1u	1041	1006	7.03	0.00	0.00	0.00
15	E_2g	3150	3044	0.00	83.39	0.75	0.86
15	E_2g	3150	3044	0.00	83.39	0.75	0.86
16	E_2g	1600	1546	0.00	10.13	0.75	0.86
16	E_2g	1600	1546	0.00	10.13	0.75	0.86
17	E_2g	1202	1162	0.00	4.43	0.75	0.86
17	E_2g	1202	1162	0.00	4.43	0.75	0.86
18	E_2g	600	579	0.00	9.34	0.75	0.86
18	E_2g	600	579	0.00	9.34	0.75	0.86
19	E_2u	882	853	0.00	0.00	0.00	0.00
19	E_2u	882	853	0.00	0.00	0.00	0.00
20	E_2u	396	383	0.00	0.00	0.00	0.00
20	E_2u	396	383	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.443
C2	1.250	0.721
C3	1.250	-0.721
C4	0.000	-1.443
C5	-1.250	-0.721
C6	-1.250	0.721
H7	0.000	2.544
H8	2.203	1.272
H9	2.203	-1.272
H10	0.000	-2.544
H11	-2.203	-1.272
H12	-2.203	1.272

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4430	2.4993	2.8859	2.4993	1.4430	1.1011	2.2099	3.4965	3.9871	3.4965	2.2099
C2	1.4430		1.4430	2.4993	2.8859	2.4993	2.2099	1.1011	2.2099	3.4965	3.9871	3.4965
C3	2.4993	1.4430		1.4430	2.4993	2.8859	3.4965	2.2099	1.1011	2.2099	3.4965	3.9871
C4	2.8859	2.4993	1.4430		1.4430	2.4993	3.9871	3.4965	2.2099	1.1011	2.2099	3.4965
C5	2.4993	2.8859	2.4993	1.4430		1.4430	3.4965	3.9871	3.4965	2.2099	1.1011	2.2099
C6	1.4430	2.4993	2.8859	2.4993	1.4430		2.2099	3.4965	3.9871	3.4965	2.2099	1.1011
H7	1.1011	2.2099	3.4965	3.9871	3.4965	2.2099		2.5441	4.4065	5.0882	4.4065	2.5441
H8	2.2099	1.1011	2.2099	3.4965	3.9871	3.4965	2.5441		2.5441	4.4065	5.0882	4.4065
H9	3.4965	2.2099	1.1011	2.2099	3.4965	3.9871	4.4065	2.5441		2.5441	4.4065	5.0882
H10	3.9871	3.4965	2.2099	1.1011	2.2099	3.4965	5.0882	4.4065	2.5441		2.5441	4.4065
H11	3.4965	3.9871	3.4965	2.2099	1.1011	2.2099	4.4065	5.0882	4.4065	2.5441		2.5441
H12	2.2099	3.4965	3.9871	3.4965	2.2099	1.1011	2.5441	4.4065	5.0882	4.4065	2.5441

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/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₆H₆ (Benzene)