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	hartrees
Energy at 0K	-231.562775
Energy at 298.15K	-231.568404
Nuclear repulsion energy	199.869188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3107	5.67
2	A₁	3232	3084	6.60
3	A₁	3160	3015	5.99
4	A₁	1727	1647	2.06
5	A₁	1566	1494	20.45
6	A₁	1470	1403	0.14
7	A₁	1383	1320	18.41
8	A₁	1111	1060	0.80
9	A₁	1005	959	1.78
10	A₁	911	869	7.76
11	A₁	675	644	0.00
12	A₂	887	846	0.00
13	A₂	773	738	0.00
14	A₂	681	650	0.00
15	A₂	471	449	0.00
16	B₁	916	874	13.43
17	B₁	907	865	17.16
18	B₁	754	719	74.44
19	B₁	596	569	22.92
20	B₁	190	181	3.38
21	B₂	3250	3101	21.71
22	B₂	3250	3101	3.68
23	B₂	3223	3075	2.14
24	B₂	1636	1561	0.00
25	B₂	1364	1301	0.05
26	B₂	1267	1209	0.07
27	B₂	1113	1062	5.57
28	B₂	970	925	2.27
29	B₂	810	772	1.26
30	B₂	339	324	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.765
C2	0.000	2.111
C3	1.184	-0.128
C4	-1.184	-0.128
C5	0.743	-1.409
C6	-0.743	-1.409
H7	0.929	2.677
H8	-0.929	2.677
H9	2.211	0.219
H10	-2.211	0.219
H11	1.357	-2.303
H12	-1.357	-2.303

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3464	1.4823	1.4823	2.2974	2.2974	2.1256	2.1256	2.2771	2.2771	3.3549	3.3549
C2	1.3464		2.5323	2.5323	3.5978	3.5978	1.0875	1.0875	2.9100	2.9100	4.6184	4.6184
C3	1.4823	2.5323		2.3674	1.3550	2.3143	2.8157	3.5109	1.0839	3.4120	2.1828	3.3453
C4	1.4823	2.5323	2.3674		2.3143	1.3550	3.5109	2.8157	3.4120	1.0839	3.3453	2.1828
C5	2.2974	3.5978	1.3550	2.3143		1.4870	4.0898	4.4146	2.1915	3.3730	1.0847	2.2832
C6	2.2974	3.5978	2.3143	1.3550	1.4870		4.4146	4.0898	3.3730	2.1915	2.2832	1.0847
H7	2.1256	1.0875	2.8157	3.5109	4.0898	4.4146		1.8579	2.7719	3.9873	4.9983	5.4797
H8	2.1256	1.0875	3.5109	2.8157	4.4146	4.0898	1.8579		3.9873	2.7719	5.4797	4.9983
H9	2.2771	2.9100	1.0839	3.4120	2.1915	3.3730	2.7719	3.9873		4.4214	2.6627	4.3694
H10	2.2771	2.9100	3.4120	1.0839	3.3730	2.1915	3.9873	2.7719	4.4214		4.3694	2.6627
H11	3.3549	4.6184	2.1828	3.3453	1.0847	2.2832	4.9983	5.4797	2.6627	4.3694		2.7146
H12	3.3549	4.6184	3.3453	2.1828	2.2832	1.0847	5.4797	4.9983	4.3694	2.6627	2.7146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.330	C1	C2	H8	121.330
C1	C3	C5	108.051	C1	C3	H9	124.355
C1	C4	C6	108.051	C1	C4	H10	124.355
C2	C1	C3	127.010	C2	C1	C4	127.010
C3	C1	C4	105.981	C3	C5	C6	108.958
C3	C5	H11	126.581	C4	C6	C5	108.958
C4	C6	H12	126.581	C5	C3	H9	127.594
C5	C6	H12	124.461	C6	C4	H10	127.594
C6	C5	H11	124.461	H7	C2	H8	117.341

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)