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	hartrees
Energy at 0K	-228.185092
Energy at 298.15K	-228.190561
HF Energy	-227.814310
Nuclear repulsion energy	197.178114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3560	3164	0.00
2	A₁	3531	3138	10.19
3	A₁	3445	3062	14.44
4	A₁	1792	1593	11.34
5	A₁	1653	1469	3.94
6	A₁	1586	1410	0.85
7	A₁	1486	1321	7.91
8	A₁	1182	1051	0.04
9	A₁	1062	944	6.24
10	A₁	948	843	2.12
11	A₁	701	623	0.07
12	A₂	999	888	0.00
13	A₂	858	763	0.00
14	A₂	769	683	0.00
15	A₂	524	466	0.00
16	B₁	1014	902	0.01
17	B₁	975	866	13.66
18	B₁	836	743	17.92
19	B₁	641	570	4.63
20	B₁	201	179	1.60
21	B₂	3600	3200	0.00
22	B₂	3552	3157	0.93
23	B₂	3525	3133	2.05
24	B₂	1714	1523	0.11
25	B₂	1456	1295	0.15
26	B₂	1347	1198	0.05
27	B₂	1183	1052	0.04
28	B₂	1035	920	0.01
29	B₂	852	757	0.65
30	B₂	350	311	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		1.3607	1.5103	1.5103	2.3329	2.3329	2.1518	2.1518	2.3112	2.3112	3.4056	3.4056
C2	1.3607		2.5741	2.5741	3.6470	3.6470	1.1006	1.1006	2.9550	2.9550	4.6833	4.6833
C3	1.5103	2.5741		2.4013	1.3658	2.3434	2.8650	3.5654	1.0980	3.4595	2.2077	3.3853
C4	1.5103	2.5741	2.4013		2.3434	1.3658	3.5654	2.8650	3.4595	1.0980	3.3853	2.2077
C5	2.3329	3.6470	1.3658	2.3434		1.5101	4.1481	4.4765	2.2146	3.4165	1.0991	2.3129
C6	2.3329	3.6470	2.3434	1.3658	1.5101		4.4765	4.1481	3.4165	2.2146	2.3129	1.0991
H7	2.1518	1.1006	2.8650	3.5654	4.1481	4.4765		1.8756	2.8211	4.0454	5.0726	5.5566
H8	2.1518	1.1006	3.5654	2.8650	4.4765	4.1481	1.8756		4.0454	2.8211	5.5566	5.0726
H9	2.3112	2.9550	1.0980	3.4595	2.2146	3.4165	2.8211	4.0454		4.4821	2.6962	4.4229
H10	2.3112	2.9550	3.4595	1.0980	3.4165	2.2146	4.0454	2.8211	4.4821		4.4229	2.6962
H11	3.4056	4.6833	2.2077	3.3853	1.0991	2.3129	5.0726	5.5566	2.6962	4.4229		2.7426
H12	3.4056	4.6833	3.3853	2.2077	2.3129	1.0991	5.5566	5.0726	4.4229	2.6962	2.7426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.562	C1	C2	H8	121.562
C1	C3	C5	108.305	C1	C3	H9	124.017
C1	C4	C6	108.305	C1	C4	H10	124.017
C2	C1	C3	127.346	C2	C1	C4	127.346
C3	C1	C4	105.307	C3	C5	C6	109.042
C3	C5	H11	126.854	C4	C6	C5	109.042
C4	C6	H12	126.854	C5	C3	H9	127.678
C5	C6	H12	124.105	C6	C4	H10	127.678
C6	C5	H11	124.105	H7	C2	H8	116.876

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)