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	hartrees
Energy at 0K	-231.126195
Energy at 298.15K	-231.131733
HF Energy	-230.553786
Nuclear repulsion energy	197.946122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3092	9.93
2	A₁	3194	3064	8.24
3	A₁	3124	2998	8.47
4	A₁	1726	1656	0.02
5	A₁	1561	1498	7.54
6	A₁	1487	1427	0.03
7	A₁	1389	1333	13.12
8	A₁	1137	1091	0.62
9	A₁	982	942	1.23
10	A₁	902	865	4.83
11	A₁	680	653	0.09
12	A₂	824	790	0.00
13	A₂	753	722	0.00
14	A₂	657	631	0.00
15	A₂	467	449	0.00
16	B₁	919	882	44.02
17	B₁	866	831	2.17
18	B₁	706	677	83.43
19	B₁	584	560	19.35
20	B₁	184	176	2.28
21	B₂	3211	3081	30.91
22	B₂	3206	3076	11.55
23	B₂	3186	3057	0.27
24	B₂	1623	1557	0.00
25	B₂	1354	1300	0.03
26	B₂	1281	1230	0.33
27	B₂	1134	1088	5.30
28	B₂	972	933	0.93
29	B₂	826	792	0.40
30	B₂	354	340	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.777
C2	0.000	2.132
C3	1.195	-0.131
C4	-1.195	-0.131
C5	0.752	-1.424
C6	-0.752	-1.424
H7	0.928	2.710
H8	-0.928	2.710
H9	2.229	0.216
H10	-2.229	0.216
H11	1.366	-2.325
H12	-1.366	-2.325

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3559	1.5006	1.5006	2.3253	2.3253	2.1450	2.1450	2.2984	2.2984	3.3888	3.3888
C2	1.3559		2.5594	2.5594	3.6348	3.6348	1.0936	1.0936	2.9397	2.9397	4.6618	4.6618
C3	1.5006	2.5594		2.3904	1.3669	2.3372	2.8535	3.5471	1.0903	3.4416	2.2007	3.3723
C4	1.5006	2.5594	2.3904		2.3372	1.3669	3.5471	2.8535	3.4416	1.0903	3.3723	2.2007
C5	2.3253	3.6348	1.3669	2.3372		1.5035	4.1378	4.4625	2.2069	3.4019	1.0904	2.3013
C6	2.3253	3.6348	2.3372	1.3669	1.5035		4.4625	4.1378	3.4019	2.2069	2.3013	1.0904
H7	2.1450	1.0936	2.8535	3.5471	4.1378	4.4625		1.8570	2.8131	4.0239	5.0541	5.5332
H8	2.1450	1.0936	3.5471	2.8535	4.4625	4.1378	1.8570		4.0239	2.8131	5.5332	5.0541
H9	2.2984	2.9397	1.0903	3.4416	2.2069	3.4019	2.8131	4.0239		4.4579	2.6833	4.4019
H10	2.2984	2.9397	3.4416	1.0903	3.4019	2.2069	4.0239	2.8131	4.4579		4.4019	2.6833
H11	3.3888	4.6618	2.2007	3.3723	1.0904	2.3013	5.0541	5.5332	2.6833	4.4019		2.7315
H12	3.3888	4.6618	3.3723	2.2007	2.3013	1.0904	5.5332	5.0541	4.4019	2.6833	2.7315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.894	C1	C2	H8	121.894
C1	C3	C5	108.277	C1	C3	H9	124.261
C1	C4	C6	108.277	C1	C4	H10	124.261
C2	C1	C3	127.205	C2	C1	C4	127.205
C3	C1	C4	105.589	C3	C5	C6	108.929
C3	C5	H11	126.799	C4	C6	C5	108.929
C4	C6	H12	126.799	C5	C3	H9	127.462
C5	C6	H12	124.272	C6	C4	H10	127.462
C6	C5	H11	124.272	H7	C2	H8	116.211

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: CCD/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 (Fulvene)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)