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	hartrees
Energy at 0K	-231.587908
Energy at 298.15K	-231.593424
HF Energy	-230.683148
Nuclear repulsion energy	200.454347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3093	5.60
2	A₁	3244	3072	6.05
3	A₁	3179	3010	4.01
4	A₁	1697	1607	3.10
5	A₁	1525	1445	21.38
6	A₁	1466	1389	0.04
7	A₁	1381	1308	27.71
8	A₁	1109	1051	3.09
9	A₁	1029	975	1.51
10	A₁	923	875	7.48
11	A₁	677	641	0.05
12	A₂	823	780	0.00
13	A₂	756	716	0.00
14	A₂	647	613	0.00
15	A₂	458	434	0.00
16	B₁	890	843	27.95
17	B₁	858	813	8.98
18	B₁	723	685	99.32
19	B₁	593	562	18.97
20	B₁	182	172	4.58
21	B₂	3278	3105	5.75
22	B₂	3260	3087	14.07
23	B₂	3235	3064	2.13
24	B₂	1599	1515	0.18
25	B₂	1361	1289	0.05
26	B₂	1270	1203	0.39
27	B₂	1110	1051	10.32
28	B₂	977	925	1.53
29	B₂	812	769	0.76
30	B₂	338	320	0.25

Atom	y (Å)	z (Å)
C1	0.000	0.755
C2	0.000	2.105
C3	1.178	-0.121
C4	-1.178	-0.121
C5	0.736	-1.408
C6	-0.736	-1.408
H7	0.927	2.670
H8	-0.927	2.670
H9	2.206	0.224
H10	-2.206	0.224
H11	1.353	-2.300
H12	-1.353	-2.300

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3499	1.4685	1.4685	2.2850	2.2850	2.1277	2.1277	2.2688	2.2688	3.3412	3.3412
C2	1.3499		2.5189	2.5189	3.5895	3.5895	1.0859	1.0859	2.8990	2.8990	4.6080	4.6080
C3	1.4685	2.5189		2.3568	1.3611	2.3065	2.8027	3.4965	1.0837	3.4016	2.1856	3.3399
C4	1.4685	2.5189	2.3568		2.3065	1.3611	3.4965	2.8027	3.4016	1.0837	3.3399	2.1856
C5	2.2850	3.5895	1.3611	2.3065		1.4712	4.0830	4.4044	2.1966	3.3638	1.0846	2.2711
C6	2.2850	3.5895	2.3065	1.3611	1.4712		4.4044	4.0830	3.3638	2.1966	2.2711	1.0846
H7	2.1277	1.0859	2.8027	3.4965	4.0830	4.4044		1.8544	2.7603	3.9749	4.9882	5.4682
H8	2.1277	1.0859	3.4965	2.8027	4.4044	4.0830	1.8544		3.9749	2.7603	5.4682	4.9882
H9	2.2688	2.8990	1.0837	3.4016	2.1966	3.3638	2.7603	3.9749		4.4114	2.6638	4.3629
H10	2.2688	2.8990	3.4016	1.0837	3.3638	2.1966	3.9749	2.7603	4.4114		4.3629	2.6638
H11	3.3412	4.6080	2.1856	3.3399	1.0846	2.2711	4.9882	5.4682	2.6638	4.3629		2.7063
H12	3.3412	4.6080	3.3399	2.1856	2.2711	1.0846	5.4682	4.9882	4.3629	2.6638	2.7063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.362	C1	C2	H8	121.362
C1	C3	C5	107.652	C1	C3	H9	124.797
C1	C4	C6	107.652	C1	C4	H10	124.797
C2	C1	C3	126.637	C2	C1	C4	126.637
C3	C1	C4	106.725	C3	C5	C6	108.985
C3	C5	H11	126.305	C4	C6	C5	108.985
C4	C6	H12	126.305	C5	C3	H9	127.551
C5	C6	H12	124.711	C6	C4	H10	127.551
C6	C5	H11	124.711	H7	C2	H8	117.276

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)