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	hartrees
Energy at 0K	-231.292574
Energy at 298.15K	-231.298454
HF Energy	-230.644155
Nuclear repulsion energy	201.612288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3368	3111	6.40
2	A₁	3344	3089	5.94
3	A₁	3282	3031	6.29
4	A₁	1831	1691	6.81
5	A₁	1663	1536	29.73
6	A₁	1542	1424	0.24
7	A₁	1456	1345	23.63
8	A₁	1173	1084	1.50
9	A₁	1052	972	2.55
10	A₁	953	881	10.58
11	A₁	705	652	0.00
12	A₂	965	892	0.00
13	A₂	828	765	0.00
14	A₂	730	675	0.00
15	A₂	508	469	0.00
16	B₁	1013	935	43.43
17	B₁	979	904	1.78
18	B₁	821	758	68.36
19	B₁	647	598	25.35
20	B₁	207	191	3.00
21	B₂	3367	3110	9.36
22	B₂	3361	3105	14.96
23	B₂	3335	3080	2.50
24	B₂	1744	1611	0.12
25	B₂	1436	1327	0.02
26	B₂	1335	1233	0.09
27	B₂	1175	1086	6.69
28	B₂	1016	939	1.82
29	B₂	843	779	2.04
30	B₂	355	328	0.27

Atom	y (Å)	z (Å)
C1	0.000	0.760
C2	0.000	2.091
C3	1.174	-0.128
C4	-1.174	-0.128
C5	0.737	-1.395
C6	-0.737	-1.395
H7	0.920	2.658
H8	-0.920	2.658
H9	2.196	0.215
H10	-2.196	0.215
H11	1.346	-2.285
H12	-1.346	-2.285

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3314	1.4723	1.4723	2.2769	2.2769	2.1093	2.1093	2.2624	2.2624	3.3286	3.3286
C2	1.3314		2.5108	2.5108	3.5627	3.5627	1.0802	1.0802	2.8882	2.8882	4.5781	4.5781
C3	1.4723	2.5108		2.3489	1.3398	2.2931	2.7978	3.4853	1.0775	3.3877	2.1634	3.3169
C4	1.4723	2.5108	2.3489		2.2931	1.3398	3.4853	2.7978	3.3877	1.0775	3.3169	2.1634
C5	2.2769	3.5627	1.3398	2.2931		1.4744	4.0566	4.3781	2.1721	3.3456	1.0783	2.2652
C6	2.2769	3.5627	2.2931	1.3398	1.4744		4.3781	4.0566	3.3456	2.1721	2.2652	1.0783
H7	2.1093	1.0802	2.7978	3.4853	4.0566	4.3781		1.8391	2.7563	3.9591	4.9611	5.4371
H8	2.1093	1.0802	3.4853	2.7978	4.3781	4.0566	1.8391		3.9591	2.7563	5.4371	4.9611
H9	2.2624	2.8882	1.0775	3.3877	2.1721	3.3456	2.7563	3.9591		4.3917	2.6403	4.3349
H10	2.2624	2.8882	3.3877	1.0775	3.3456	2.1721	3.9591	2.7563	4.3917		4.3349	2.6403
H11	3.3286	4.5781	2.1634	3.3169	1.0783	2.2652	4.9611	5.4371	2.6403	4.3349		2.6914
H12	3.3286	4.5781	3.3169	2.1634	2.2652	1.0783	5.4371	4.9611	4.3349	2.6403	2.6914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.654	C1	C2	H8	121.654
C1	C3	C5	108.041	C1	C3	H9	124.345
C1	C4	C6	108.041	C1	C4	H10	124.345
C2	C1	C3	127.089	C2	C1	C4	127.089
C3	C1	C4	105.823	C3	C5	C6	109.047
C3	C5	H11	126.600	C4	C6	C5	109.047
C4	C6	H12	126.600	C5	C3	H9	127.614
C5	C6	H12	124.353	C6	C4	H10	127.614
C6	C5	H11	124.353	H7	C2	H8	116.693

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)