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	hartrees
Energy at 0K	-231.593390
Energy at 298.15K
HF Energy	-230.772660
Nuclear repulsion energy	203.689855

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	3248	3078	0.00	403.82	0.11	0.19
2	A_1g	1016	964	0.00	66.65	0.06	0.11
3	A_2g	1377	1305	0.00	0.00	0.68	0.81
4	A_2u	633	600	122.68	0.00	0.00	0.00
5	B_1u	3211	3044	0.00	0.00	0.64	0.78
6	B_1u	996	944	0.00	0.00	0.00	0.00
7	B_2g	797	756	0.00	0.00	0.75	0.86
8	B_2g	2139i	2028i	0.00	0.00	0.75	0.86
9	B_2u	1435	1361	0.00	0.00	0.75	0.86
10	B_2u	1185	1124	0.00	0.00	0.75	0.86
11	E_1g	723	686	0.00	0.02	0.75	0.86
11	E_1g	723	686	0.00	0.02	0.75	0.86
12	E_1u	3237	3069	30.49	0.00	0.45	0.62
12	E_1u	3237	3069	30.49	0.00	0.73	0.84
13	E_1u	1518	1439	7.47	0.00	0.75	0.86
13	E_1u	1518	1439	7.47	0.00	0.75	0.86
14	E_1u	1066	1011	4.99	0.00	0.75	0.86
14	E_1u	1066	1011	4.99	0.00	0.75	0.86
15	E_2g	3222	3054	0.00	121.02	0.75	0.86
15	E_2g	3222	3054	0.00	121.02	0.75	0.86
16	E_2g	1644	1558	0.00	9.27	0.75	0.86
16	E_2g	1644	1558	0.00	9.27	0.75	0.86
17	E_2g	1209	1146	0.00	5.71	0.75	0.86
17	E_2g	1209	1146	0.00	5.71	0.75	0.86
18	E_2g	613	581	0.00	4.59	0.75	0.86
18	E_2g	613	581	0.00	4.59	0.75	0.86
19	E_2u	563	534	0.00	0.00	0.00	0.00
19	E_2u	563	534	0.00	0.00	0.00	0.00
20	E_2u	360i	341i	0.00	0.00	0.00	0.00
20	E_2u	360i	341i	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.393
C2	1.207	0.697
C3	1.207	-0.697
C4	0.000	-1.393
C5	-1.207	-0.697
C6	-1.207	0.697
H7	0.000	2.477
H8	2.145	1.238
H9	2.145	-1.238
H10	0.000	-2.477
H11	-2.145	-1.238
H12	-2.145	1.238

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3934	2.4135	2.7869	2.4135	1.3934	1.0832	2.1504	3.3950	3.8700	3.3950	2.1504
C2	1.3934		1.3934	2.4135	2.7869	2.4135	2.1504	1.0832	2.1504	3.3950	3.8700	3.3950
C3	2.4135	1.3934		1.3934	2.4135	2.7869	3.3950	2.1504	1.0832	2.1504	3.3950	3.8700
C4	2.7869	2.4135	1.3934		1.3934	2.4135	3.8700	3.3950	2.1504	1.0832	2.1504	3.3950
C5	2.4135	2.7869	2.4135	1.3934		1.3934	3.3950	3.8700	3.3950	2.1504	1.0832	2.1504
C6	1.3934	2.4135	2.7869	2.4135	1.3934		2.1504	3.3950	3.8700	3.3950	2.1504	1.0832
H7	1.0832	2.1504	3.3950	3.8700	3.3950	2.1504		2.4766	4.2896	4.9532	4.2896	2.4766
H8	2.1504	1.0832	2.1504	3.3950	3.8700	3.3950	2.4766		2.4766	4.2896	4.9532	4.2896
H9	3.3950	2.1504	1.0832	2.1504	3.3950	3.8700	4.2896	2.4766		2.4766	4.2896	4.9532
H10	3.8700	3.3950	2.1504	1.0832	2.1504	3.3950	4.9532	4.2896	2.4766		2.4766	4.2896
H11	3.3950	3.8700	3.3950	2.1504	1.0832	2.1504	4.2896	4.9532	4.2896	2.4766		2.4766
H12	2.1504	3.3950	3.8700	3.3950	2.1504	1.0832	2.4766	4.2896	4.9532	4.2896	2.4766

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/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₆H₆ (Benzene)