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	hartrees
Energy at 0K	-228.182396
Energy at 298.15K	-228.187863
HF Energy	-227.814247
Nuclear repulsion energy	197.148806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3559	3103	0.00
2	A₁	3530	3078	10.20
3	A₁	3444	3003	14.45
4	A₁	1792	1562	11.32
5	A₁	1652	1441	3.93
6	A₁	1586	1383	0.86
7	A₁	1486	1295	7.90
8	A₁	1182	1030	0.04
9	A₁	1061	925	6.24
10	A₁	948	827	2.12
11	A₁	701	611	0.07
12	A₂	999	871	0.00
13	A₂	858	748	0.00
14	A₂	769	670	0.00
15	A₂	524	457	0.00
16	B₁	1014	884	0.01
17	B₁	975	850	13.67
18	B₁	836	729	17.96
19	B₁	641	559	4.63
20	B₁	201	175	1.60
21	B₂	3599	3138	0.00
22	B₂	3551	3097	0.92
23	B₂	3524	3073	2.05
24	B₂	1713	1494	0.11
25	B₂	1456	1269	0.15
26	B₂	1347	1175	0.05
27	B₂	1183	1031	0.04
28	B₂	1034	902	0.01
29	B₂	852	743	0.65
30	B₂	350	305	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.781
C2	0.000	2.142
C3	1.201	-0.135
C4	-1.201	-0.135
C5	0.755	-1.426
C6	-0.755	-1.426
H7	0.938	2.718
H8	-0.938	2.718
H9	2.241	0.216
H10	-2.241	0.216
H11	1.371	-2.336
H12	-1.371	-2.336

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3609	1.5106	1.5106	2.3332	2.3332	2.1520	2.1520	2.3116	2.3116	3.4061	3.4061
C2	1.3609		2.5745	2.5745	3.6475	3.6475	1.1006	1.1006	2.9554	2.9554	4.6839	4.6839
C3	1.5106	2.5745		2.4018	1.3660	2.3438	2.8654	3.5659	1.0980	3.4600	2.2080	3.3857
C4	1.5106	2.5745	2.4018		2.3438	1.3660	3.5659	2.8654	3.4600	1.0980	3.3857	2.2080
C5	2.3332	3.6475	1.3660	2.3438		1.5104	4.1486	4.4771	2.2148	3.4170	1.0991	2.3132
C6	2.3332	3.6475	2.3438	1.3660	1.5104		4.4771	4.1486	3.4170	2.2148	2.3132	1.0991
H7	2.1520	1.1006	2.8654	3.5659	4.1486	4.4771		1.8757	2.8216	4.0459	5.0733	5.5572
H8	2.1520	1.1006	3.5659	2.8654	4.4771	4.1486	1.8757		4.0459	2.8216	5.5572	5.0733
H9	2.3116	2.9554	1.0980	3.4600	2.2148	3.4170	2.8216	4.0459		4.4827	2.6965	4.4234
H10	2.3116	2.9554	3.4600	1.0980	3.4170	2.2148	4.0459	2.8216	4.4827		4.4234	2.6965
H11	3.4061	4.6839	2.2080	3.3857	1.0991	2.3132	5.0733	5.5572	2.6965	4.4234		2.7429
H12	3.4061	4.6839	3.3857	2.2080	2.3132	1.0991	5.5572	5.0733	4.4234	2.6965	2.7429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.560	C1	C2	H8	121.560
C1	C3	C5	108.305	C1	C3	H9	124.015
C1	C4	C6	108.305	C1	C4	H10	124.015
C2	C1	C3	127.347	C2	C1	C4	127.347
C3	C1	C4	105.305	C3	C5	C6	109.042
C3	C5	H11	126.856	C4	C6	C5	109.042
C4	C6	H12	126.856	C5	C3	H9	127.680
C5	C6	H12	124.102	C6	C4	H10	127.680
C6	C5	H11	124.102	H7	C2	H8	116.879

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)