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	hartrees
Energy at 0K	-231.686751
Energy at 298.15K	-231.692414
HF Energy	-230.723861
Nuclear repulsion energy	201.021417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3109	3.84
2	A₁	3240	3088	3.24
3	A₁	3169	3020	3.65
4	A₁	1685	1606	2.47
5	A₁	1503	1432	26.16
6	A₁	1454	1385	0.10
7	A₁	1367	1302	21.95
8	A₁	1090	1038	2.48
9	A₁	1021	973	1.67
10	A₁	917	874	7.20
11	A₁	674	643	0.06
12	A₂	902	860	0.00
13	A₂	764	728	0.00
14	A₂	661	630	0.00
15	A₂	469	447	0.00
16	B₁	956	911	29.84
17	B₁	911	868	0.65
18	B₁	776	740	60.29
19	B₁	628	598	38.62
20	B₁	200	191	4.98
21	B₂	3269	3115	2.81
22	B₂	3256	3103	7.54
23	B₂	3230	3078	1.86
24	B₂	1577	1503	0.07
25	B₂	1346	1283	0.43
26	B₂	1252	1193	0.28
27	B₂	1093	1042	7.90
28	B₂	965	920	3.67
29	B₂	809	771	0.49
30	B₂	332	316	0.15

Atom	y (Å)	z (Å)
C1	0.000	0.759
C2	0.000	2.103
C3	1.175	-0.124
C4	-1.175	-0.124
C5	0.736	-1.406
C6	-0.736	-1.406
H7	0.925	2.666
H8	-0.925	2.666
H9	2.198	0.223
H10	-2.198	0.223
H11	1.348	-2.296
H12	-1.348	-2.296

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3436	1.4698	1.4698	2.2869	2.2869	2.1192	2.1192	2.2620	2.2620	3.3397	3.3397
C2	1.3436		2.5177	2.5177	3.5852	3.5852	1.0827	1.0827	2.8918	2.8918	4.6012	4.6012
C3	1.4698	2.5177		2.3499	1.3548	2.3015	2.8011	3.4918	1.0799	3.3903	2.1794	3.3294
C4	1.4698	2.5177	2.3499		2.3015	1.3548	3.4918	2.8011	3.3903	1.0799	3.3294	2.1794
C5	2.2869	3.5852	1.3548	2.3015		1.4730	4.0762	4.3977	2.1883	3.3560	1.0803	2.2667
C6	2.2869	3.5852	2.3015	1.3548	1.4730		4.3977	4.0762	3.3560	2.1883	2.2667	1.0803
H7	2.1192	1.0827	2.8011	3.4918	4.0762	4.3977		1.8496	2.7545	3.9644	4.9804	5.4581
H8	2.1192	1.0827	3.4918	2.8011	4.3977	4.0762	1.8496		3.9644	2.7545	5.4581	4.9804
H9	2.2620	2.8918	1.0799	3.3903	2.1883	3.3560	2.7545	3.9644		4.3951	2.6590	4.3496
H10	2.2620	2.8918	3.3903	1.0799	3.3560	2.1883	3.9644	2.7545	4.3951		4.3496	2.6590
H11	3.3397	4.6012	2.1794	3.3294	1.0803	2.2667	4.9804	5.4581	2.6590	4.3496		2.6959
H12	3.3397	4.6012	3.3294	2.1794	2.2667	1.0803	5.4581	4.9804	4.3496	2.6590	2.6959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.338	C1	C2	H8	121.338
C1	C3	C5	108.047	C1	C3	H9	124.321
C1	C4	C6	108.047	C1	C4	H10	124.321
C2	C1	C3	126.929	C2	C1	C4	126.929
C3	C1	C4	106.141	C3	C5	C6	108.883
C3	C5	H11	126.644	C4	C6	C5	108.883
C4	C6	H12	126.644	C5	C3	H9	127.632
C5	C6	H12	124.473	C6	C4	H10	127.632
C6	C5	H11	124.473	H7	C2	H8	117.324

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)