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	hartrees
Energy at 0K	-231.423995
Energy at 298.15K
HF Energy	-230.581461
Nuclear repulsion energy	208.533346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3088	7.71
2	A₁	3205	2982	31.51
3	A₁	1667	1551	0.19
4	A₁	1221	1137	3.60
5	A₁	1083	1008	0.84
6	A₁	982	914	10.74
7	A₁	897	835	0.11
8	A₁	828	770	91.06
9	A₁	396	368	6.32
10	A₂	3286	3057	0.00
11	A₂	1346	1252	0.00
12	A₂	1252	1165	0.00
13	A₂	992	923	0.00
14	A₂	916	852	0.00
15	A₂	797	742	0.00
16	A₂	324	301	0.00
17	B₁	3316	3086	37.09
18	B₁	1640	1526	11.57
19	B₁	1272	1183	4.58
20	B₁	1141	1062	0.10
21	B₁	1043	970	0.18
22	B₁	733	682	51.75
23	B₂	3287	3059	24.23
24	B₂	3197	2975	17.65
25	B₂	1346	1252	34.21
26	B₂	1208	1124	7.05
27	B₂	958	891	8.05
28	B₂	936	871	2.33
29	B₂	857	797	8.55
30	B₂	498	464	4.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.786	0.524
C2	0.000	-0.786	0.524
H3	0.000	1.349	1.455
H4	0.000	-1.349	1.455
C5	-1.305	0.672	-0.265
C6	1.305	0.672	-0.265
C7	1.305	-0.672	-0.265
C8	-1.305	-0.672	-0.265
H9	-1.946	1.418	-0.711
H10	1.946	1.418	-0.711
H11	1.946	-1.418	-0.711
H12	-1.946	-1.418	-0.711

	C1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12
C1		1.5726	1.0873	2.3290	1.5292	1.5292	2.1104	2.1104	2.3898	2.3898	3.1894	3.1894
C2	1.5726		2.3290	1.0873	2.1104	2.1104	1.5292	1.5292	3.1894	3.1894	2.3898	2.3898
H3	1.0873	2.3290		2.6974	2.2621	2.2621	2.9572	2.9572	2.9124	2.9124	4.0167	4.0167
H4	2.3290	1.0873	2.6974		2.9572	2.9572	2.2621	2.2621	4.0167	4.0167	2.9124	2.9124
C5	1.5292	2.1104	2.2621	2.9572		2.6101	2.9362	1.3449	1.0798	3.3648	3.8906	2.2318
C6	1.5292	2.1104	2.2621	2.9572	2.6101		1.3449	2.9362	3.3648	1.0798	2.2318	3.8906
C7	2.1104	1.5292	2.9572	2.2621	2.9362	1.3449		2.6101	3.8906	2.2318	1.0798	3.3648
C8	2.1104	1.5292	2.9572	2.2621	1.3449	2.9362	2.6101		2.2318	3.8906	3.3648	1.0798
H9	2.3898	3.1894	2.9124	4.0167	1.0798	3.3648	3.8906	2.2318		3.8910	4.8152	2.8366
H10	2.3898	3.1894	2.9124	4.0167	3.3648	1.0798	2.2318	3.8906	3.8910		2.8366	4.8152
H11	3.1894	2.3898	4.0167	2.9124	3.8906	2.2318	1.0798	3.3648	4.8152	2.8366		3.8910
H12	3.1894	2.3898	4.0167	2.9124	2.2318	3.8906	3.3648	1.0798	2.8366	4.8152	3.8910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.147	C1	C2	H7	85.729
C1	C2	H8	85.729	C1	C5	H8	94.271
C1	C5	H9	131.924	C1	C6	H7	94.271
C1	C6	H10	131.924	C2	C1	C3	121.147
C2	C1	C5	85.729	C2	C1	C6	85.729
C2	H7	C6	94.271	C2	H7	H11	131.924
C2	H8	C5	94.271	C2	H8	H12	131.924
C3	C1	C5	118.689	C3	C1	C6	118.689
C4	C2	H7	118.689	C4	C2	H8	118.689
C5	C1	C6	117.166	C5	H8	H12	133.687
C6	H7	H11	133.687	H7	C6	H10	133.687
H8	C5	H9	133.687

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

using model chemistry: MP3/6-31+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 (Dewar Benzene)

using model chemistry: MP3/6-31+G**

States and conformations

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