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	hartrees
Energy at 0K	-231.646440
Energy at 298.15K	-231.652411
HF Energy	-230.741703
Nuclear repulsion energy	203.056178

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	3234	3063	0.00	380.23	0.13	0.22
2	A_1g	1017	963	0.00	55.73	0.09	0.17
3	A_2g	1376	1303	0.00	0.00	0.00	0.00
4	A_2u	675	639	133.19	0.00	0.00	0.00
5	B_1u	3199	3030	0.00	0.00	0.00	0.00
6	B_1u	1015	961	0.00	0.00	0.00	0.00
7	B_2g	873	827	0.00	0.00	0.75	0.86
8	B_2g	411	389	0.00	0.00	0.75	0.86
9	B_2u	1455	1378	0.00	0.00	0.00	0.00
10	B_2u	1189	1126	0.00	0.00	0.00	0.00
11	E_1g	829	785	0.00	1.15	0.75	0.86
11	E_1g	829	785	0.00	1.15	0.75	0.86
12	E_1u	3225	3054	36.53	0.00	0.00	0.00
12	E_1u	3225	3054	36.53	0.00	0.00	0.00
13	E_1u	1519	1438	11.20	0.00	0.00	0.00
13	E_1u	1519	1438	11.20	0.00	0.00	0.00
14	E_1u	1067	1011	5.51	0.00	0.00	0.00
14	E_1u	1067	1011	5.51	0.00	0.00	0.00
15	E_2g	3210	3040	0.00	132.71	0.75	0.86
15	E_2g	3210	3040	0.00	132.71	0.75	0.86
16	E_2g	1651	1564	0.00	7.90	0.75	0.86
16	E_2g	1651	1564	0.00	7.90	0.75	0.86
17	E_2g	1210	1146	0.00	6.10	0.75	0.86
17	E_2g	1210	1146	0.00	6.10	0.75	0.86
18	E_2g	615	582	0.00	3.90	0.75	0.86
18	E_2g	615	582	0.00	3.90	0.75	0.86
19	E_2u	870	824	0.00	0.00	0.70	0.82
19	E_2u	870	824	0.00	0.00	0.00	0.00
20	E_2u	392	371	0.00	0.00	0.00	0.00
20	E_2u	392	371	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.398
C2	1.210	0.699
C3	1.210	-0.699
C4	0.000	-1.398
C5	-1.210	-0.699
C6	-1.210	0.699
H7	0.000	2.484
H8	2.152	1.242
H9	2.152	-1.242
H10	0.000	-2.484
H11	-2.152	-1.242
H12	-2.152	1.242

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3978	2.4210	2.7955	2.4210	1.3978	1.0867	2.1572	3.4057	3.8822	3.4057	2.1572
C2	1.3978		1.3978	2.4210	2.7955	2.4210	2.1572	1.0867	2.1572	3.4057	3.8822	3.4057
C3	2.4210	1.3978		1.3978	2.4210	2.7955	3.4057	2.1572	1.0867	2.1572	3.4057	3.8822
C4	2.7955	2.4210	1.3978		1.3978	2.4210	3.8822	3.4057	2.1572	1.0867	2.1572	3.4057
C5	2.4210	2.7955	2.4210	1.3978		1.3978	3.4057	3.8822	3.4057	2.1572	1.0867	2.1572
C6	1.3978	2.4210	2.7955	2.4210	1.3978		2.1572	3.4057	3.8822	3.4057	2.1572	1.0867
H7	1.0867	2.1572	3.4057	3.8822	3.4057	2.1572		2.4844	4.3031	4.9688	4.3031	2.4844
H8	2.1572	1.0867	2.1572	3.4057	3.8822	3.4057	2.4844		2.4844	4.3031	4.9688	4.3031
H9	3.4057	2.1572	1.0867	2.1572	3.4057	3.8822	4.3031	2.4844		2.4844	4.3031	4.9688
H10	3.8822	3.4057	2.1572	1.0867	2.1572	3.4057	4.9688	4.3031	2.4844		2.4844	4.3031
H11	3.4057	3.8822	3.4057	2.1572	1.0867	2.1572	4.3031	4.9688	4.3031	2.4844		2.4844
H12	2.1572	3.4057	3.8822	3.4057	2.1572	1.0867	2.4844	4.3031	4.9688	4.3031	2.4844

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=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₆ (Benzene)