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	hartrees
Energy at 0K	-231.476562
Energy at 298.15K	-231.482182
HF Energy	-230.653270
Nuclear repulsion energy	200.967977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3323	3105	5.52
2	A₁	3300	3084	5.63
3	A₁	3234	3021	3.80
4	A₁	1726	1613	4.37
5	A₁	1559	1456	19.23
6	A₁	1499	1401	0.35
7	A₁	1410	1318	20.89
8	A₁	1130	1056	2.27
9	A₁	1041	972	2.24
10	A₁	932	871	6.41
11	A₁	682	637	0.05
12	A₂	867	810	0.00
13	A₂	775	724	0.00
14	A₂	674	629	0.00
15	A₂	464	434	0.00
16	B₁	928	868	27.22
17	B₁	895	836	4.35
18	B₁	750	701	72.36
19	B₁	608	568	10.16
20	B₁	190	178	2.97
21	B₂	3336	3117	6.22
22	B₂	3317	3099	13.45
23	B₂	3291	3075	2.52
24	B₂	1632	1525	0.05
25	B₂	1386	1295	0.02
26	B₂	1292	1207	0.09
27	B₂	1131	1057	6.86
28	B₂	990	925	1.78
29	B₂	817	764	1.08
30	B₂	339	317	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.754
C2	0.000	2.101
C3	1.176	-0.121
C4	-1.176	-0.121
C5	0.734	-1.405
C6	-0.734	-1.405
H7	0.923	2.664
H8	-0.923	2.664
H9	2.198	0.224
H10	-2.198	0.224
H11	1.347	-2.293
H12	-1.347	-2.293

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3472	1.4657	1.4657	2.2800	2.2800	2.1213	2.1213	2.2607	2.2607	3.3314	3.3314
C2	1.3472		2.5142	2.5142	3.5819	3.5819	1.0810	1.0810	2.8903	2.8903	4.5961	4.5961
C3	1.4657	2.5142		2.3518	1.3577	2.3010	2.7964	3.4873	1.0785	3.3912	2.1788	3.3290
C4	1.4657	2.5142	2.3518		2.3010	1.3577	3.4873	2.7964	3.3912	1.0785	3.3290	2.1788
C5	2.2800	3.5819	1.3577	2.3010		1.4674	4.0730	4.3930	2.1900	3.3535	1.0794	2.2623
C6	2.2800	3.5819	2.3010	1.3577	1.4674		4.3930	4.0730	3.3535	2.1900	2.2623	1.0794
H7	2.1213	1.0810	2.7964	3.4873	4.0730	4.3930		1.8461	2.7528	3.9613	4.9750	5.4520
H8	2.1213	1.0810	3.4873	2.7964	4.3930	4.0730	1.8461		3.9613	2.7528	5.4520	4.9750
H9	2.2607	2.8903	1.0785	3.3912	2.1900	3.3535	2.7528	3.9613		4.3955	2.6570	4.3474
H10	2.2607	2.8903	3.3912	1.0785	3.3535	2.1900	3.9613	2.7528	4.3955		4.3474	2.6570
H11	3.3314	4.5961	2.1788	3.3290	1.0794	2.2623	4.9750	5.4520	2.6570	4.3474		2.6938
H12	3.3314	4.5961	3.3290	2.1788	2.2623	1.0794	5.4520	4.9750	4.3474	2.6570	2.6938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.366	C1	C2	H8	121.366
C1	C3	C5	107.647	C1	C3	H9	124.687
C1	C4	C6	107.647	C1	C4	H10	124.687
C2	C1	C3	126.654	C2	C1	C4	126.654
C3	C1	C4	106.693	C3	C5	C6	109.007
C3	C5	H11	126.378	C4	C6	C5	109.007
C4	C6	H12	126.378	C5	C3	H9	127.666
C5	C6	H12	124.615	C6	C4	H10	127.666
C6	C5	H11	124.615	H7	C2	H8	117.268

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)