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	hartrees
Energy at 0K	-229.942625
Energy at 298.15K	-229.948166
HF Energy	-229.347922
Nuclear repulsion energy	197.717730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3217	3120
2	A₁	3188	3092
3	A₁	3111	3017
4	A₁	1661	1611
5	A₁	1515	1469
6	A₁	1465	1420
7	A₁	1371	1330
8	A₁	1135	1101
9	A₁	925	897
10	A₁	871	844
11	A₁	669	649
12	A₂	852	826
13	A₂	758	735
14	A₂	669	649
15	A₂	477	462
16	B₁	919	891
17	B₁	878	852
18	B₁	725	704
19	B₁	593	575
20	B₁	183	177
21	B₂	3205	3109
22	B₂	3191	3094
23	B₂	3182	3085
24	B₂	1558	1511
25	B₂	1331	1291
26	B₂	1251	1213
27	B₂	1128	1094
28	B₂	959	930
29	B₂	810	786
30	B₂	348	337

Atom	y (Å)	z (Å)
C1	0.000	0.779
C2	0.000	2.133
C3	1.198	-0.131
C4	-1.198	-0.131
C5	0.756	-1.425
C6	-0.756	-1.425
H7	0.928	2.708
H8	-0.928	2.708
H9	2.228	0.219
H10	-2.228	0.219
H11	1.366	-2.325
H12	-1.366	-2.325

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3539	1.5050	1.5050	2.3309	2.3309	2.1401	2.1401	2.2971	2.2971	3.3915	3.3915
C2	1.3539		2.5619	2.5619	3.6382	3.6382	1.0915	1.0915	2.9374	2.9374	4.6627	4.6627
C3	1.5050	2.5619		2.3968	1.3679	2.3442	2.8517	3.5470	1.0869	3.4437	2.2001	3.3749
C4	1.5050	2.5619	2.3968		2.3442	1.3679	3.5470	2.8517	3.4437	1.0869	3.3749	2.2001
C5	2.3309	3.6382	1.3679	2.3442		1.5121	4.1369	4.4632	2.2064	3.4066	1.0868	2.3050
C6	2.3309	3.6382	2.3442	1.3679	1.5121		4.4632	4.1369	3.4066	2.2064	2.3050	1.0868
H7	2.1401	1.0915	2.8517	3.5470	4.1369	4.4632		1.8561	2.8081	4.0193	5.0516	5.5309
H8	2.1401	1.0915	3.5470	2.8517	4.4632	4.1369	1.8561		4.0193	2.8081	5.5309	5.0516
H9	2.2971	2.9374	1.0869	3.4437	2.2064	3.4066	2.8081	4.0193		4.4551	2.6851	4.4027
H10	2.2971	2.9374	3.4437	1.0869	3.4066	2.2064	4.0193	2.8081	4.4551		4.4027	2.6851
H11	3.3915	4.6627	2.2001	3.3749	1.0868	2.3050	5.0516	5.5309	2.6851	4.4027		2.7326
H12	3.3915	4.6627	3.3749	2.2001	2.3050	1.0868	5.5309	5.0516	4.4027	2.6851	2.7326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.760	C1	C2	H8	121.760
C1	C3	C5	108.359	C1	C3	H9	124.013
C1	C4	C6	108.359	C1	C4	H10	124.013
C2	C1	C3	127.226	C2	C1	C4	127.226
C3	C1	C4	105.548	C3	C5	C6	108.867
C3	C5	H11	126.972	C4	C6	C5	108.867
C4	C6	H12	126.972	C5	C3	H9	127.628
C5	C6	H12	124.162	C6	C4	H10	127.628
C6	C5	H11	124.162	H7	C2	H8	116.480

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)