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	hartrees
Energy at 0K	-231.080145
Energy at 298.15K	-231.085646
HF Energy	-230.572383
Nuclear repulsion energy	196.657334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3134	14.25
2	A₁	3211	3100	7.01
3	A₁	3138	3029	11.52
4	A₁	1666	1608	0.10
5	A₁	1511	1459	15.76
6	A₁	1459	1409	4.71
7	A₁	1366	1319	19.27
8	A₁	1122	1084	3.28
9	A₁	987	953	0.57
10	A₁	894	863	8.39
11	A₁	669	646	0.06
12	A₂	839	810	0.00
13	A₂	745	719	0.00
14	A₂	635	613	0.00
15	A₂	466	450	0.00
16	B₁	887	856	54.31
17	B₁	846	816	0.45
18	B₁	734	709	98.01
19	B₁	590	569	54.90
20	B₁	197	190	4.57
21	B₂	3247	3134	13.87
22	B₂	3232	3120	28.25
23	B₂	3201	3090	0.41
24	B₂	1547	1493	0.18
25	B₂	1336	1290	0.15
26	B₂	1269	1225	1.42
27	B₂	1115	1076	13.31
28	B₂	968	934	1.94
29	B₂	812	784	0.15
30	B₂	345	333	0.24

Atom	y (Å)	z (Å)
C1	0.000	0.776
C2	0.000	2.150
C3	1.202	-0.126
C4	-1.202	-0.126
C5	0.753	-1.439
C6	-0.753	-1.439
H7	0.934	2.720
H8	-0.934	2.720
H9	2.235	0.224
H10	-2.235	0.224
H11	1.374	-2.337
H12	-1.374	-2.337

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3743	1.5026	1.5026	2.3393	2.3393	2.1571	2.1571	2.3026	2.3026	3.4022	3.4022
C2	1.3743		2.5739	2.5739	3.6673	3.6673	1.0942	1.0942	2.9510	2.9510	4.6925	4.6925
C3	1.5026	2.5739		2.4039	1.3876	2.3551	2.8587	3.5585	1.0911	3.4552	2.2175	3.3945
C4	1.5026	2.5739	2.4039		2.3551	1.3876	3.5585	2.8587	3.4552	1.0911	3.3945	2.2175
C5	2.3393	3.6673	1.3876	2.3551		1.5064	4.1630	4.4883	2.2275	3.4200	1.0914	2.3087
C6	2.3393	3.6673	2.3551	1.3876	1.5064		4.4883	4.1630	3.4200	2.2275	2.3087	1.0914
H7	2.1571	1.0942	2.8587	3.5585	4.1630	4.4883		1.8681	2.8152	4.0346	5.0759	5.5586
H8	2.1571	1.0942	3.5585	2.8587	4.4883	4.1630	1.8681		4.0346	2.8152	5.5586	5.0759
H9	2.3026	2.9510	1.0911	3.4552	2.2275	3.4200	2.8152	4.0346		4.4709	2.7016	4.4253
H10	2.3026	2.9510	3.4552	1.0911	3.4200	2.2275	4.0346	2.8152	4.4709		4.4253	2.7016
H11	3.4022	4.6925	2.2175	3.3945	1.0914	2.3087	5.0759	5.5586	2.7016	4.4253		2.7477
H12	3.4022	4.6925	3.3945	2.2175	2.3087	1.0914	5.5586	5.0759	4.4253	2.7016	2.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.393	C1	C2	H8	121.393
C1	C3	C5	108.008	C1	C3	H9	124.429
C1	C4	C6	108.008	C1	C4	H10	124.429
C2	C1	C3	126.878	C2	C1	C4	126.878
C3	C1	C4	106.245	C3	C5	C6	108.869
C3	C5	H11	126.474	C4	C6	C5	108.869
C4	C6	H12	126.474	C5	C3	H9	127.562
C5	C6	H12	124.656	C6	C4	H10	127.562
C6	C5	H11	124.656	H7	C2	H8	117.213

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)