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	hartrees
Energy at 0K	-231.763991
Energy at 298.15K	-231.769780
HF Energy	-230.722762
Nuclear repulsion energy	201.935755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3126	3.95
2	A₁	3266	3101	2.99
3	A₁	3197	3036	3.30
4	A₁	1708	1621	2.81
5	A₁	1525	1448	24.10
6	A₁	1472	1398	0.03
7	A₁	1383	1313	25.32
8	A₁	1108	1052	2.75
9	A₁	1032	980	1.80
10	A₁	925	878	7.16
11	A₁	679	644	0.06
12	A₂	935	887	0.00
13	A₂	792	752	0.00
14	A₂	696	661	0.00
15	A₂	493	468	0.00
16	B₁	990	940	33.50
17	B₁	930	883	0.57
18	B₁	806	766	55.93
19	B₁	645	612	36.91
20	B₁	210	200	4.61
21	B₂	3284	3118	7.80
22	B₂	3281	3115	3.42
23	B₂	3256	3091	1.68
24	B₂	1599	1518	0.02
25	B₂	1362	1293	0.13
26	B₂	1271	1207	0.24
27	B₂	1109	1053	8.28
28	B₂	978	928	2.77
29	B₂	814	772	0.71
30	B₂	340	323	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.755
C2	0.000	2.092
C3	1.170	-0.123
C4	-1.170	-0.123
C5	0.734	-1.399
C6	-0.734	-1.399
H7	0.921	2.652
H8	-0.921	2.652
H9	2.187	0.222
H10	-2.187	0.222
H11	1.342	-2.285
H12	-1.342	-2.285

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3368	1.4627	1.4627	2.2760	2.2760	2.1086	2.1086	2.2507	2.2507	3.3228	3.3228
C2	1.3368		2.5050	2.5050	3.5675	3.5675	1.0778	1.0778	2.8771	2.8771	4.5777	4.5777
C3	1.4627	2.5050		2.3390	1.3485	2.2913	2.7864	3.4745	1.0741	3.3739	2.1684	3.3133
C4	1.4627	2.5050	2.3390		2.2913	1.3485	3.4745	2.7864	3.3739	1.0741	3.3133	2.1684
C5	2.2760	3.5675	1.3485	2.2913		1.4670	4.0558	4.3762	2.1773	3.3401	1.0742	2.2562
C6	2.2760	3.5675	2.2913	1.3485	1.4670		4.3762	4.0558	3.3401	2.1773	2.2562	1.0742
H7	2.1086	1.0778	2.7864	3.4745	4.0558	4.3762		1.8417	2.7399	3.9448	4.9547	5.4306
H8	2.1086	1.0778	3.4745	2.7864	4.3762	4.0558	1.8417		3.9448	2.7399	5.4306	4.9547
H9	2.2507	2.8771	1.0741	3.3739	2.1773	3.3401	2.7399	3.9448		4.3733	2.6454	4.3282
H10	2.2507	2.8771	3.3739	1.0741	3.3401	2.1773	3.9448	2.7399	4.3733		4.3282	2.6454
H11	3.3228	4.5777	2.1684	3.3133	1.0742	2.2562	4.9547	5.4306	2.6454	4.3282		2.6833
H12	3.3228	4.5777	3.3133	2.1684	2.2562	1.0742	5.4306	4.9547	4.3282	2.6454	2.6833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.311	C1	C2	H8	121.311
C1	C3	C5	108.047	C1	C3	H9	124.337
C1	C4	C6	108.047	C1	C4	H10	124.337
C2	C1	C3	126.911	C2	C1	C4	126.911
C3	C1	C4	106.179	C3	C5	C6	108.864
C3	C5	H11	126.652	C4	C6	C5	108.864
C4	C6	H12	126.652	C5	C3	H9	127.616
C5	C6	H12	124.484	C6	C4	H10	127.616
C6	C5	H11	124.484	H7	C2	H8	117.378

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)