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	hartrees
Energy at 0K	-231.483130
Energy at 298.15K	-231.488811
HF Energy	-230.654177
Nuclear repulsion energy	200.557797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3112	6.36
2	A₁	3296	3090	7.61
3	A₁	3228	3027	6.24
4	A₁	1771	1661	1.59
5	A₁	1612	1511	14.32
6	A₁	1506	1412	0.00
7	A₁	1420	1331	14.96
8	A₁	1142	1071	0.68
9	A₁	1025	961	1.59
10	A₁	927	869	6.37
11	A₁	684	641	0.00
12	A₂	895	839	0.00
13	A₂	786	737	0.00
14	A₂	691	648	0.00
15	A₂	476	446	0.00
16	B₁	939	880	29.97
17	B₁	921	863	3.65
18	B₁	767	719	64.89
19	B₁	609	571	15.36
20	B₁	193	181	2.33
21	B₂	3321	3114	10.09
22	B₂	3312	3106	18.49
23	B₂	3287	3082	1.86
24	B₂	1683	1578	0.00
25	B₂	1396	1309	0.02
26	B₂	1299	1218	0.07
27	B₂	1143	1072	4.40
28	B₂	990	928	1.76
29	B₂	821	770	1.17
30	B₂	345	323	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.763
C2	0.000	2.105
C3	1.180	-0.128
C4	-1.180	-0.128
C5	0.740	-1.405
C6	-0.740	-1.405
H7	0.922	2.670
H8	-0.922	2.670
H9	2.203	0.217
H10	-2.203	0.217
H11	1.351	-2.295
H12	-1.351	-2.295

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3421	1.4780	1.4780	2.2902	2.2902	2.1189	2.1189	2.2693	2.2693	3.3430	3.3430
C2	1.3421		2.5249	2.5249	3.5865	3.5865	1.0819	1.0819	2.9011	2.9011	4.6027	4.6027
C3	1.4780	2.5249		2.3596	1.3506	2.3060	2.8097	3.4995	1.0791	3.3998	2.1745	3.3320
C4	1.4780	2.5249	2.3596		2.3060	1.3506	3.4995	2.8097	3.3998	1.0791	3.3320	2.1745
C5	2.2902	3.5865	1.3506	2.3060		1.4804	4.0790	4.4010	2.1833	3.3598	1.0798	2.2727
C6	2.2902	3.5865	2.3060	1.3506	1.4804		4.4010	4.0790	3.3598	2.1833	2.2727	1.0798
H7	2.1189	1.0819	2.8097	3.4995	4.0790	4.4010		1.8444	2.7678	3.9731	4.9841	5.4611
H8	2.1189	1.0819	3.4995	2.8097	4.4010	4.0790	1.8444		3.9731	2.7678	5.4611	4.9841
H9	2.2693	2.9011	1.0791	3.3998	2.1833	3.3598	2.7678	3.9731		4.4052	2.6524	4.3514
H10	2.2693	2.9011	3.3998	1.0791	3.3598	2.1833	3.9731	2.7678	4.4052		4.3514	2.6524
H11	3.3430	4.6027	2.1745	3.3320	1.0798	2.2727	4.9841	5.4611	2.6524	4.3514		2.7012
H12	3.3430	4.6027	3.3320	2.1745	2.2727	1.0798	5.4611	4.9841	4.3514	2.6524	2.7012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.523	C1	C2	H8	121.523
C1	C3	C5	108.040	C1	C3	H9	124.371
C1	C4	C6	108.040	C1	C4	H10	124.371
C2	C1	C3	127.035	C2	C1	C4	127.035
C3	C1	C4	105.931	C3	C5	C6	108.994
C3	C5	H11	126.584	C4	C6	C5	108.994
C4	C6	H12	126.584	C5	C3	H9	127.589
C5	C6	H12	124.421	C6	C4	H10	127.589
C6	C5	H11	124.421	H7	C2	H8	116.955

All results from a given calculation for C₆H₆ (Fulvene)

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

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)