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	hartrees
Energy at 0K	-231.398279
Energy at 298.15K	-231.403840
HF Energy	-230.641571
Nuclear repulsion energy	200.567455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3099	5.27
2	A₁	3265	3078	5.11
3	A₁	3204	3021	3.22
4	A₁	1717	1619	4.11
5	A₁	1551	1463	18.87
6	A₁	1492	1407	0.24
7	A₁	1403	1323	23.24
8	A₁	1130	1065	2.58
9	A₁	1039	980	1.96
10	A₁	932	879	6.83
11	A₁	681	642	0.04
12	A₂	840	792	0.00
13	A₂	767	723	0.00
14	A₂	663	625	0.00
15	A₂	461	434	0.00
16	B₁	923	870	33.42
17	B₁	874	824	4.37
18	B₁	739	697	79.18
19	B₁	606	572	12.32
20	B₁	188	178	3.26
21	B₂	3298	3110	5.88
22	B₂	3280	3093	12.49
23	B₂	3256	3070	2.35
24	B₂	1624	1532	0.20
25	B₂	1380	1301	0.01
26	B₂	1288	1215	0.15
27	B₂	1130	1066	8.40
28	B₂	987	931	1.37
29	B₂	816	770	1.00
30	B₂	339	320	0.18

Atom	y (Å)	z (Å)
C1	0.000	0.761
C2	0.000	2.110
C3	1.177	-0.126
C4	-1.177	-0.126
C5	0.737	-1.410
C6	-0.737	-1.410
H7	0.925	2.680
H8	-0.925	2.680
H9	2.204	0.224
H10	-2.204	0.224
H11	1.350	-2.306
H12	-1.350	-2.306

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3482	1.4735	1.4735	2.2930	2.2930	2.1305	2.1305	2.2685	2.2685	3.3516	3.3516
C2	1.3482		2.5260	2.5260	3.5958	3.5958	1.0872	1.0872	2.9004	2.9004	4.6176	4.6176
C3	1.4735	2.5260		2.3533	1.3572	2.3050	2.8173	3.5060	1.0853	3.3987	2.1875	3.3377
C4	1.4735	2.5260	2.3533		2.3050	1.3572	3.5060	2.8173	3.3987	1.0853	3.3377	2.1875
C5	2.2930	3.5958	1.3572	2.3050		1.4749	4.0946	4.4153	2.1957	3.3649	1.0858	2.2720
C6	2.2930	3.5958	2.3050	1.3572	1.4749		4.4153	4.0946	3.3649	2.1957	2.2720	1.0858
H7	2.1305	1.0872	2.8173	3.5060	4.0946	4.4153		1.8507	2.7691	3.9782	5.0047	5.4813
H8	2.1305	1.0872	3.5060	2.8173	4.4153	4.0946	1.8507		3.9782	2.7691	5.4813	5.0047
H9	2.2685	2.9004	1.0853	3.3987	2.1957	3.3649	2.7691	3.9782		4.4081	2.6706	4.3630
H10	2.2685	2.9004	3.3987	1.0853	3.3649	2.1957	3.9782	2.7691	4.4081		4.3630	2.6706
H11	3.3516	4.6176	2.1875	3.3377	1.0858	2.2720	5.0047	5.4813	2.6706	4.3630		2.7005
H12	3.3516	4.6176	3.3377	2.1875	2.2720	1.0858	5.4813	5.0047	4.3630	2.6706	2.7005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.670	C1	C2	H8	121.670
C1	C3	C5	108.130	C1	C3	H9	124.183
C1	C4	C6	108.130	C1	C4	H10	124.183
C2	C1	C3	127.011	C2	C1	C4	127.011
C3	C1	C4	105.979	C3	C5	C6	108.880
C3	C5	H11	126.761	C4	C6	C5	108.880
C4	C6	H12	126.761	C5	C3	H9	127.686
C5	C6	H12	124.358	C6	C4	H10	127.686
C6	C5	H11	124.358	H7	C2	H8	116.659

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)