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	hartrees
Energy at 0K	-231.550169
Energy at 298.15K	-231.556001
HF Energy	-230.721126
Nuclear repulsion energy	203.251004

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	3280	3081	0.00	406.26	0.11	0.20
2	A_1g	1021	959	0.00	79.42	0.03	0.06
3	A_2g	1394	1310	0.00	0.00	0.40	0.58
4	A_2u	680	639	137.50	0.00	0.00	0.00
5	B_1u	3245	3048	0.00	0.00	0.62	0.77
6	B_1u	1017	955	0.00	0.00	0.03	0.06
7	B_2g	888	834	0.00	0.00	0.75	0.86
8	B_2g	265	248	0.00	0.00	0.75	0.86
9	B_2u	1468	1379	0.00	0.00	0.75	0.86
10	B_2u	1197	1125	0.00	0.00	0.00	0.00
11	E_1g	844	793	0.00	1.24	0.75	0.86
11	E_1g	844	793	0.00	1.24	0.75	0.86
12	E_1u	3271	3072	33.99	0.00	0.73	0.84
12	E_1u	3271	3072	33.99	0.00	0.45	0.62
13	E_1u	1534	1440	6.21	0.00	0.00	0.00
13	E_1u	1534	1440	6.21	0.00	0.00	0.00
14	E_1u	1077	1011	5.58	0.00	0.00	0.00
14	E_1u	1077	1011	5.58	0.00	0.00	0.00
15	E_2g	3255	3057	0.00	125.72	0.75	0.86
15	E_2g	3255	3057	0.00	125.72	0.75	0.86
16	E_2g	1665	1564	0.00	12.24	0.75	0.86
16	E_2g	1665	1564	0.00	12.24	0.75	0.86
17	E_2g	1220	1146	0.00	5.51	0.75	0.86
17	E_2g	1220	1146	0.00	5.51	0.75	0.86
18	E_2g	617	580	0.00	4.67	0.75	0.86
18	E_2g	617	580	0.00	4.67	0.75	0.86
19	E_2u	908	853	0.00	0.00	0.00	0.00
19	E_2u	908	853	0.00	0.00	0.00	0.00
20	E_2u	380	357	0.00	0.00	0.00	0.00
20	E_2u	380	357	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	0.699
C3	1.210	-0.699
C4	0.000	-1.397
C5	-1.210	-0.699
C6	-1.210	0.699
H7	0.000	2.479
H8	2.147	1.240
H9	2.147	-1.240
H10	0.000	-2.479
H11	-2.147	-1.240
H12	-2.147	1.240

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3972	2.4200	2.7944	2.4200	1.3972	1.0822	2.1530	3.4006	3.8766	3.4006	2.1530
C2	1.3972		1.3972	2.4200	2.7944	2.4200	2.1530	1.0822	2.1530	3.4006	3.8766	3.4006
C3	2.4200	1.3972		1.3972	2.4200	2.7944	3.4006	2.1530	1.0822	2.1530	3.4006	3.8766
C4	2.7944	2.4200	1.3972		1.3972	2.4200	3.8766	3.4006	2.1530	1.0822	2.1530	3.4006
C5	2.4200	2.7944	2.4200	1.3972		1.3972	3.4006	3.8766	3.4006	2.1530	1.0822	2.1530
C6	1.3972	2.4200	2.7944	2.4200	1.3972		2.1530	3.4006	3.8766	3.4006	2.1530	1.0822
H7	1.0822	2.1530	3.4006	3.8766	3.4006	2.1530		2.4794	4.2945	4.9589	4.2945	2.4794
H8	2.1530	1.0822	2.1530	3.4006	3.8766	3.4006	2.4794		2.4794	4.2945	4.9589	4.2945
H9	3.4006	2.1530	1.0822	2.1530	3.4006	3.8766	4.2945	2.4794		2.4794	4.2945	4.9589
H10	3.8766	3.4006	2.1530	1.0822	2.1530	3.4006	4.9589	4.2945	2.4794		2.4794	4.2945
H11	3.4006	3.8766	3.4006	2.1530	1.0822	2.1530	4.2945	4.9589	4.2945	2.4794		2.4794
H12	2.1530	3.4006	3.8766	3.4006	2.1530	1.0822	2.4794	4.2945	4.9589	4.2945	2.4794

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/6-31+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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₆ (Benzene)