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	hartrees
Energy at 0K	-231.460431
Energy at 298.15K	-231.466099
HF Energy	-230.643008
Nuclear repulsion energy	200.648168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	3095	5.29
2	A₁	3275	3073	5.62
3	A₁	3211	3013	4.33
4	A₁	1767	1658	2.04
5	A₁	1609	1510	17.55
6	A₁	1501	1408	0.03
7	A₁	1417	1330	19.92
8	A₁	1145	1074	1.24
9	A₁	1030	966	1.47
10	A₁	932	875	7.65
11	A₁	689	647	0.01
12	A₂	879	824	0.00
13	A₂	784	736	0.00
14	A₂	688	646	0.00
15	A₂	479	449	0.00
16	B₁	934	877	37.39
17	B₁	909	853	3.96
18	B₁	767	719	72.31
19	B₁	618	579	20.11
20	B₁	196	184	2.77
21	B₂	3295	3092	7.76
22	B₂	3291	3088	15.52
23	B₂	3267	3065	1.91
24	B₂	1683	1579	0.12
25	B₂	1396	1310	0.03
26	B₂	1301	1220	0.17
27	B₂	1144	1074	6.74
28	B₂	990	929	1.53
29	B₂	825	774	1.21
30	B₂	346	324	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.764
C2	0.000	2.106
C3	1.179	-0.129
C4	-1.179	-0.129
C5	0.741	-1.406
C6	-0.741	-1.406
H7	0.925	2.677
H8	-0.925	2.677
H9	2.205	0.219
H10	-2.205	0.219
H11	1.352	-2.302
H12	-1.352	-2.302

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3418	1.4788	1.4788	2.2930	2.2930	2.1246	2.1246	2.2718	2.2718	3.3508	3.3508
C2	1.3418		2.5268	2.5268	3.5892	3.5892	1.0866	1.0866	2.9027	2.9027	4.6106	4.6106
C3	1.4788	2.5268		2.3573	1.3501	2.3052	2.8175	3.5067	1.0840	3.4019	2.1798	3.3354
C4	1.4788	2.5268	2.3573		2.3052	1.3501	3.5067	2.8175	3.4019	1.0840	3.3354	2.1798
C5	2.2930	3.5892	1.3501	2.3052		1.4810	4.0872	4.4095	2.1876	3.3642	1.0846	2.2760
C6	2.2930	3.5892	2.3052	1.3501	1.4810		4.4095	4.0872	3.3642	2.1876	2.2760	1.0846
H7	2.1246	1.0866	2.8175	3.5067	4.0872	4.4095		1.8490	2.7720	3.9799	4.9973	5.4746
H8	2.1246	1.0866	3.5067	2.8175	4.4095	4.0872	1.8490		3.9799	2.7720	5.4746	4.9973
H9	2.2718	2.9027	1.0840	3.4019	2.1876	3.3642	2.7720	3.9799		4.4108	2.6613	4.3597
H10	2.2718	2.9027	3.4019	1.0840	3.3642	2.1876	3.9799	2.7720	4.4108		4.3597	2.6613
H11	3.3508	4.6106	2.1798	3.3354	1.0846	2.2760	4.9973	5.4746	2.6613	4.3597		2.7035
H12	3.3508	4.6106	3.3354	2.1798	2.2760	1.0846	5.4746	4.9973	4.3597	2.6613	2.7035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.702	C1	C2	H8	121.702
C1	C3	C5	108.216	C1	C3	H9	124.134
C1	C4	C6	108.216	C1	C4	H10	124.134
C2	C1	C3	127.154	C2	C1	C4	127.154
C3	C1	C4	105.692	C3	C5	C6	108.938
C3	C5	H11	126.761	C4	C6	C5	108.938
C4	C6	H12	126.761	C5	C3	H9	127.650
C5	C6	H12	124.302	C6	C4	H10	127.650
C6	C5	H11	124.302	H7	C2	H8	116.596

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)