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	hartrees
Energy at 0K	-36.993671
Energy at 298.15K
HF Energy	-36.273892
Nuclear repulsion energy	104.295526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3238	3074	7.44	190.97	0.04	0.07
2	A₁	3150	2991	35.30	120.89	0.11	0.19
3	A₁	1584	1504	0.27	13.09	0.05	0.10
4	A₁	1182	1122	5.50	23.93	0.12	0.21
5	A₁	1041	988	0.83	6.02	0.53	0.69
6	A₁	978	929	9.32	11.54	0.21	0.35
7	A₁	882	837	0.08	5.17	0.75	0.86
8	A₁	818	776	113.18	7.26	0.10	0.19
9	A₁	385	365	7.48	6.64	0.60	0.75
10	A₂	3196	3034	0.00	96.45	0.75	0.86
11	A₂	1299	1234	0.00	7.05	0.75	0.86
12	A₂	1198	1137	0.00	6.01	0.75	0.86
13	A₂	978	928	0.00	0.28	0.75	0.86
14	A₂	893	848	0.00	3.60	0.75	0.86
15	A₂	770	731	0.00	5.78	0.75	0.86
16	A₂	308	292	0.00	3.32	0.75	0.86
17	B₁	3235	3072	39.55	64.38	0.75	0.86
18	B₁	1557	1479	10.31	1.05	0.75	0.86
19	B₁	1231	1168	3.97	0.03	0.75	0.86
20	B₁	1109	1053	0.87	1.56	0.75	0.86
21	B₁	1023	971	0.01	4.41	0.75	0.86
22	B₁	724	687	68.43	1.03	0.75	0.86
23	B₂	3198	3037	22.48	24.35	0.75	0.86
24	B₂	3141	2982	13.62	87.22	0.75	0.86
25	B₂	1291	1226	34.50	0.06	0.75	0.86
26	B₂	1150	1092	5.25	0.35	0.75	0.86
27	B₂	930	883	3.12	5.53	0.75	0.86
28	B₂	912	866	11.46	0.80	0.75	0.86
29	B₂	832	790	11.51	0.00	0.75	0.86
30	B₂	471	447	3.60	5.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.793	0.536
C2	0.000	-0.793	0.536
H3	0.000	1.357	1.484
H4	0.000	-1.357	1.484
C5	-1.310	0.689	-0.270
C6	1.310	0.689	-0.270
C7	1.310	-0.689	-0.270
C8	-1.310	-0.689	-0.270
H9	-1.953	1.448	-0.732
H10	1.953	1.448	-0.732
H11	1.953	-1.448	-0.732
H12	-1.953	-1.448	-0.732

	C1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12
C1		1.5866	1.1033	2.3502	1.5414	1.5414	2.1362	2.1362	2.4185	2.4185	3.2315	3.2315
C2	1.5866		2.3502	1.1033	2.1362	2.1362	1.5414	1.5414	3.2315	3.2315	2.4185	2.4185
H3	1.1033	2.3502		2.7140	2.2888	2.2888	2.9967	2.9967	2.9552	2.9552	4.0732	4.0732
H4	2.3502	1.1033	2.7140		2.9967	2.9967	2.2888	2.2888	4.0732	4.0732	2.9552	2.9552
C5	1.5414	2.1362	2.2888	2.9967		2.6198	2.9605	1.3788	1.0963	3.3815	3.9276	2.2790
C6	1.5414	2.1362	2.2888	2.9967	2.6198		1.3788	2.9605	3.3815	1.0963	2.2790	3.9276
C7	2.1362	1.5414	2.9967	2.2888	2.9605	1.3788		2.6198	3.9276	2.2790	1.0963	3.3815
C8	2.1362	1.5414	2.9967	2.2888	1.3788	2.9605	2.6198		2.2790	3.9276	3.3815	1.0963
H9	2.4185	3.2315	2.9552	4.0732	1.0963	3.3815	3.9276	2.2790		3.9058	4.8619	2.8953
H10	2.4185	3.2315	2.9552	4.0732	3.3815	1.0963	2.2790	3.9276	3.9058		2.8953	4.8619
H11	3.2315	2.4185	4.0732	2.9552	3.9276	2.2790	1.0963	3.3815	4.8619	2.8953		3.9058
H12	3.2315	2.4185	4.0732	2.9552	2.2790	3.9276	3.3815	1.0963	2.8953	4.8619	3.9058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.724	C1	C2	H7	86.135
C1	C2	H8	86.135	C1	C5	H8	93.865
C1	C5	H9	132.228	C1	C6	H7	93.865
C1	C6	H10	132.228	C2	C1	C3	120.724
C2	C1	C5	86.135	C2	C1	C6	86.135
C2	H7	C6	93.865	C2	H7	H11	132.228
C2	H8	C5	93.865	C2	H8	H12	132.228
C3	C1	C5	118.932	C3	C1	C6	118.932
C4	C2	H7	118.932	C4	C2	H8	118.932
C5	C1	C6	116.390	C5	H8	H12	133.764
C6	H7	H11	133.764	H7	C6	H10	133.764
H8	C5	H9	133.764

All results from a given calculation for C₆H₆ (Dewar 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 (Dewar Benzene)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₆ (Dewar Benzene)