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	hartrees
Energy at 0K	-231.295996
Energy at 298.15K	-231.301876
HF Energy	-230.644128
Nuclear repulsion energy	201.549707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	3116	6.63
2	A₁	3341	3093	6.25
3	A₁	3279	3036	6.67
4	A₁	1828	1692	6.69
5	A₁	1660	1537	29.72
6	A₁	1541	1427	0.21
7	A₁	1455	1347	23.39
8	A₁	1173	1086	1.48
9	A₁	1050	972	2.57
10	A₁	952	881	10.50
11	A₁	705	652	0.00
12	A₂	967	895	0.00
13	A₂	829	767	0.00
14	A₂	731	677	0.00
15	A₂	508	471	0.00
16	B₁	1013	938	43.32
17	B₁	979	907	1.79
18	B₁	822	761	67.94
19	B₁	647	599	25.42
20	B₁	208	192	3.00
21	B₂	3363	3114	9.94
22	B₂	3359	3109	15.26
23	B₂	3332	3085	2.50
24	B₂	1741	1612	0.11
25	B₂	1435	1328	0.02
26	B₂	1334	1235	0.07
27	B₂	1174	1087	6.63
28	B₂	1016	940	1.85
29	B₂	842	780	2.07
30	B₂	355	328	0.28

Atom	y (Å)	z (Å)
C1	0.000	0.760
C2	0.000	2.092
C3	1.175	-0.128
C4	-1.175	-0.128
C5	0.737	-1.395
C6	-0.737	-1.395
H7	0.920	2.659
H8	-0.920	2.659
H9	2.196	0.215
H10	-2.196	0.215
H11	1.346	-2.286
H12	-1.346	-2.286

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3320	1.4726	1.4726	2.2777	2.2777	2.1099	2.1099	2.2628	2.2628	3.3295	3.3295
C2	1.3320		2.5117	2.5117	3.5641	3.5641	1.0804	1.0804	2.8889	2.8889	4.5796	4.5796
C3	1.4726	2.5117		2.3495	1.3403	2.2938	2.7986	3.4862	1.0776	3.3884	2.1641	3.3179
C4	1.4726	2.5117	2.3495		2.2938	1.3403	3.4862	2.7986	3.3884	1.0776	3.3179	2.1641
C5	2.2777	3.5641	1.3403	2.2938		1.4749	4.0580	4.3795	2.1727	3.3465	1.0784	2.2657
C6	2.2777	3.5641	2.2938	1.3403	1.4749		4.3795	4.0580	3.3465	2.1727	2.2657	1.0784
H7	2.1099	1.0804	2.7986	3.4862	4.0580	4.3795		1.8394	2.7570	3.9599	4.9625	5.4386
H8	2.1099	1.0804	3.4862	2.7986	4.3795	4.0580	1.8394		3.9599	2.7570	5.4386	4.9625
H9	2.2628	2.8889	1.0776	3.3884	2.1727	3.3465	2.7570	3.9599		4.3925	2.6411	4.3359
H10	2.2628	2.8889	3.3884	1.0776	3.3465	2.1727	3.9599	2.7570	4.3925		4.3359	2.6411
H11	3.3295	4.5796	2.1641	3.3179	1.0784	2.2657	4.9625	5.4386	2.6411	4.3359		2.6921
H12	3.3295	4.5796	3.3179	2.1641	2.2657	1.0784	5.4386	4.9625	4.3359	2.6411	2.6921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.649	C1	C2	H8	121.649
C1	C3	C5	108.045	C1	C3	H9	124.341
C1	C4	C6	108.045	C1	C4	H10	124.341
C2	C1	C3	127.087	C2	C1	C4	127.087
C3	C1	C4	105.825	C3	C5	C6	109.043
C3	C5	H11	126.603	C4	C6	C5	109.043
C4	C6	H12	126.603	C5	C3	H9	127.614
C5	C6	H12	124.354	C6	C4	H10	127.614
C6	C5	H11	124.354	H7	C2	H8	116.701

All results from a given calculation for C₆H₆ (Fulvene)

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 (Fulvene)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)