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	hartrees
Energy at 0K	-231.492061
Energy at 298.15K	-231.497538
HF Energy	-230.661964
Nuclear repulsion energy	200.678870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3113	5.48
2	A₁	3293	3092	5.33
3	A₁	3226	3030	4.95
4	A₁	1712	1608	2.71
5	A₁	1543	1449	24.84
6	A₁	1489	1398	0.69
7	A₁	1401	1316	20.51
8	A₁	1123	1055	2.66
9	A₁	1036	973	1.58
10	A₁	929	872	7.45
11	A₁	680	639	0.03
12	A₂	846	795	0.00
13	A₂	760	714	0.00
14	A₂	659	619	0.00
15	A₂	452	424	0.00
16	B₁	909	854	30.35
17	B₁	883	829	6.09
18	B₁	726	682	119.08
19	B₁	547	514	10.79
20	B₁	152	143	5.25
21	B₂	3329	3126	5.41
22	B₂	3309	3107	12.64
23	B₂	3284	3084	1.89
24	B₂	1614	1516	0.17
25	B₂	1377	1293	0.31
26	B₂	1286	1208	0.39
27	B₂	1124	1056	9.12
28	B₂	985	925	3.13
29	B₂	816	767	0.72
30	B₂	339	318	0.21

Atom	y (Å)	z (Å)
C1	0.000	0.755
C2	0.000	2.105
C3	1.177	-0.121
C4	-1.177	-0.121
C5	0.734	-1.408
C6	-0.734	-1.408
H7	0.925	2.666
H8	-0.925	2.666
H9	2.200	0.223
H10	-2.200	0.223
H11	1.349	-2.296
H12	-1.349	-2.296

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3505	1.4667	1.4667	2.2838	2.2838	2.1237	2.1237	2.2633	2.2633	3.3355	3.3355
C2	1.3505		2.5178	2.5178	3.5891	3.5891	1.0817	1.0817	2.8951	2.8951	4.6032	4.6032
C3	1.4667	2.5178		2.3539	1.3616	2.3040	2.7985	3.4907	1.0794	3.3945	2.1822	3.3333
C4	1.4667	2.5178	2.3539		2.3040	1.3616	3.4907	2.7985	3.3945	1.0794	3.3333	2.1822
C5	2.2838	3.5891	1.3616	2.3040		1.4676	4.0790	4.3992	2.1935	3.3569	1.0800	2.2639
C6	2.2838	3.5891	2.3040	1.3616	1.4676		4.3992	4.0790	3.3569	2.1935	2.2639	1.0800
H7	2.1237	1.0817	2.7985	3.4907	4.0790	4.3992		1.8493	2.7560	3.9664	4.9806	5.4584
H8	2.1237	1.0817	3.4907	2.7985	4.3992	4.0790	1.8493		3.9664	2.7560	5.4584	4.9806
H9	2.2633	2.8951	1.0794	3.3945	2.1935	3.3569	2.7560	3.9664		4.4001	2.6593	4.3521
H10	2.2633	2.8951	3.3945	1.0794	3.3569	2.1935	3.9664	2.7560	4.4001		4.3521	2.6593
H11	3.3355	4.6032	2.1822	3.3333	1.0800	2.2639	4.9806	5.4584	2.6593	4.3521		2.6973
H12	3.3355	4.6032	3.3333	2.1822	2.2639	1.0800	5.4584	4.9806	4.3521	2.6593	2.6973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.259	C1	C2	H8	121.259
C1	C3	C5	107.644	C1	C3	H9	124.781
C1	C4	C6	107.644	C1	C4	H10	124.781
C2	C1	C3	126.637	C2	C1	C4	126.637
C3	C1	C4	106.726	C3	C5	C6	108.993
C3	C5	H11	126.305	C4	C6	C5	108.993
C4	C6	H12	126.305	C5	C3	H9	127.575
C5	C6	H12	124.702	C6	C4	H10	127.575
C6	C5	H11	124.702	H7	C2	H8	117.482

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2=FULL/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 (Fulvene)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)