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	hartrees
Energy at 0K	-231.224176
Energy at 298.15K
HF Energy	-230.564993
Nuclear repulsion energy	209.786911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3351	3102	6.85
2	A₁	3237	2997	36.69
3	A₁	1737	1608	0.15
4	A₁	1270	1175	4.05
5	A₁	1117	1034	1.02
6	A₁	1016	940	13.10
7	A₁	935	865	0.04
8	A₁	868	804	74.79
9	A₁	412	382	4.04
10	A₂	3316	3070	0.00
11	A₂	1393	1290	0.00
12	A₂	1293	1197	0.00
13	A₂	1025	949	0.00
14	A₂	983	910	0.00
15	A₂	826	765	0.00
16	A₂	346	321	0.00
17	B₁	3348	3099	41.11
18	B₁	1709	1582	6.29
19	B₁	1320	1222	4.49
20	B₁	1172	1085	0.04
21	B₁	1072	993	0.35
22	B₁	774	717	42.96
23	B₂	3318	3071	25.48
24	B₂	3229	2990	19.24
25	B₂	1383	1280	37.20
26	B₂	1251	1158	5.99
27	B₂	1013	938	3.82
28	B₂	982	909	7.42
29	B₂	894	828	8.05
30	B₂	522	483	7.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.780	0.521
C2	0.000	-0.780	0.521
H3	0.000	1.342	1.451
H4	0.000	-1.342	1.451
C5	-1.298	0.666	-0.264
C6	1.298	0.666	-0.264
C7	1.298	-0.666	-0.264
C8	-1.298	-0.666	-0.264
H9	-1.941	1.412	-0.707
H10	1.941	1.412	-0.707
H11	1.941	-1.412	-0.707
H12	-1.941	-1.412	-0.707

	C1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12
C1		1.5591	1.0871	2.3168	1.5212	1.5212	2.0950	2.0950	2.3819	2.3819	3.1742	3.1742
C2	1.5591		2.3168	1.0871	2.0950	2.0950	1.5212	1.5212	3.1742	3.1742	2.3819	2.3819
H3	1.0871	2.3168		2.6849	2.2549	2.2549	2.9425	2.9425	2.9030	2.9030	4.0010	4.0010
H4	2.3168	1.0871	2.6849		2.9425	2.9425	2.2549	2.2549	4.0010	4.0010	2.9030	2.9030
C5	1.5212	2.0950	2.2549	2.9425		2.5959	2.9173	1.3311	1.0798	3.3528	3.8729	2.2190
C6	1.5212	2.0950	2.2549	2.9425	2.5959		1.3311	2.9173	3.3528	1.0798	2.2190	3.8729
C7	2.0950	1.5212	2.9425	2.2549	2.9173	1.3311		2.5959	3.8729	2.2190	1.0798	3.3528
C8	2.0950	1.5212	2.9425	2.2549	1.3311	2.9173	2.5959		2.2190	3.8729	3.3528	1.0798
H9	2.3819	3.1742	2.9030	4.0010	1.0798	3.3528	3.8729	2.2190		3.8813	4.7996	2.8234
H10	2.3819	3.1742	2.9030	4.0010	3.3528	1.0798	2.2190	3.8729	3.8813		2.8234	4.7996
H11	3.1742	2.3819	4.0010	2.9030	3.8729	2.2190	1.0798	3.3528	4.7996	2.8234		3.8813
H12	3.1742	2.3819	4.0010	2.9030	2.2190	3.8729	3.3528	1.0798	2.8234	4.7996	3.8813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.187	C1	C2	H7	85.702
C1	C2	H8	85.702	C1	C5	H8	94.298
C1	C5	H9	131.892	C1	C6	H7	94.298
C1	C6	H10	131.892	C2	C1	C3	121.187
C2	C1	C5	85.702	C2	C1	C6	85.702
C2	H7	C6	94.298	C2	H7	H11	131.892
C2	H8	C5	94.298	C2	H8	H12	131.892
C3	C1	C5	118.706	C3	C1	C6	118.706
C4	C2	H7	118.706	C4	C2	H8	118.706
C5	C1	C6	117.133	C5	H8	H12	133.712
C6	H7	H11	133.712	H7	C6	H10	133.712
H8	C5	H9	133.712

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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