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	hartrees
Energy at 0K	-231.520122
Energy at 298.15K	-231.525652
HF Energy	-230.694345
Nuclear repulsion energy	200.291602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3105	4.76
2	A₁	3244	3083	5.32
3	A₁	3174	3016	3.70
4	A₁	1689	1605	3.43
5	A₁	1517	1442	21.79
6	A₁	1461	1388	0.01
7	A₁	1373	1305	24.15
8	A₁	1098	1043	2.36
9	A₁	1023	973	1.90
10	A₁	918	872	6.83
11	A₁	674	640	0.06
12	A₂	850	808	0.00
13	A₂	758	720	0.00
14	A₂	655	622	0.00
15	A₂	455	432	0.00
16	B₁	897	852	19.42
17	B₁	876	833	8.73
18	B₁	726	690	89.80
19	B₁	584	555	13.56
20	B₁	179	170	4.09
21	B₂	3275	3112	5.23
22	B₂	3262	3099	12.22
23	B₂	3235	3074	2.44
24	B₂	1591	1512	0.02
25	B₂	1354	1287	0.07
26	B₂	1259	1196	0.23
27	B₂	1101	1046	8.27
28	B₂	969	921	2.12
29	B₂	808	767	0.79
30	B₂	334	317	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.756
C2	0.000	2.107
C3	1.180	-0.121
C4	-1.180	-0.121
C5	0.737	-1.409
C6	-0.737	-1.409
H7	0.930	2.669
H8	-0.930	2.669
H9	2.206	0.226
H10	-2.206	0.226
H11	1.353	-2.301
H12	-1.353	-2.301

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3512	1.4702	1.4702	2.2869	2.2869	2.1270	2.1270	2.2691	2.2691	3.3431	3.3431
C2	1.3512		2.5214	2.5214	3.5925	3.5925	1.0864	1.0864	2.8995	2.8995	4.6113	4.6113
C3	1.4702	2.5214		2.3601	1.3622	2.3092	2.8011	3.4980	1.0833	3.4040	2.1870	3.3419
C4	1.4702	2.5214	2.3601		2.3092	1.3622	3.4980	2.8011	3.4040	1.0833	3.3419	2.1870
C5	2.2869	3.5925	1.3622	2.3092		1.4732	4.0825	4.4053	2.1983	3.3665	1.0843	2.2719
C6	2.2869	3.5925	2.3092	1.3622	1.4732		4.4053	4.0825	3.3665	2.1983	2.2719	1.0843
H7	2.1270	1.0864	2.8011	3.4980	4.0825	4.4053		1.8599	2.7564	3.9755	4.9881	5.4693
H8	2.1270	1.0864	3.4980	2.8011	4.4053	4.0825	1.8599		3.9755	2.7564	5.4693	4.9881
H9	2.2691	2.8995	1.0833	3.4040	2.1983	3.3665	2.7564	3.9755		4.4126	2.6673	4.3649
H10	2.2691	2.8995	3.4040	1.0833	3.3665	2.1983	3.9755	2.7564	4.4126		4.3649	2.6673
H11	3.3431	4.6113	2.1870	3.3419	1.0843	2.2719	4.9881	5.4693	2.6673	4.3649		2.7055
H12	3.3431	4.6113	3.3419	2.1870	2.2719	1.0843	5.4693	4.9881	4.3649	2.6673	2.7055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.135	C1	C2	H8	121.135
C1	C3	C5	107.622	C1	C3	H9	124.706
C1	C4	C6	107.622	C1	C4	H10	124.706
C2	C1	C3	126.620	C2	C1	C4	126.620
C3	C1	C4	106.761	C3	C5	C6	108.998
C3	C5	H11	126.374	C4	C6	C5	108.998
C4	C6	H12	126.374	C5	C3	H9	127.672
C5	C6	H12	124.628	C6	C4	H10	127.672
C6	C5	H11	124.628	H7	C2	H8	117.730

All results from a given calculation for C₆H₆ (Fulvene)

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

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)