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	hartrees
Energy at 0K	-37.056585
Energy at 298.15K	-37.062175
HF Energy	-36.345846
Nuclear repulsion energy	100.024304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3094	6.48
2	A₁	3234	3071	4.79
3	A₁	3185	3024	8.27
4	A₁	1702	1616	2.56
5	A₁	1529	1452	24.81
6	A₁	1467	1393	0.18
7	A₁	1371	1302	20.17
8	A₁	1097	1041	2.60
9	A₁	1029	977	0.82
10	A₁	918	871	8.74
11	A₁	661	627	0.04
12	A₂	885	840	0.00
13	A₂	776	737	0.00
14	A₂	683	648	0.00
15	A₂	487	462	0.00
16	B₁	907	861	5.66
17	B₁	859	816	44.65
18	B₁	790	750	149.55
19	B₁	611	580	30.67
20	B₁	213	202	5.19
21	B₂	3278	3112	9.98
22	B₂	3254	3089	10.75
23	B₂	3222	3059	3.35
24	B₂	1592	1511	0.04
25	B₂	1368	1299	0.43
26	B₂	1253	1189	0.86
27	B₂	1095	1040	10.90
28	B₂	960	912	1.62
29	B₂	795	755	0.74
30	B₂	319	303	0.17

Atom	y (Å)	z (Å)
C1	0.000	0.763
C2	0.000	2.142
C3	1.197	-0.121
C4	-1.197	-0.121
C5	0.745	-1.433
C6	-0.745	-1.433
H7	0.938	2.709
H8	-0.938	2.709
H9	2.232	0.230
H10	-2.232	0.230
H11	1.369	-2.331
H12	-1.369	-2.331

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3791	1.4876	1.4876	2.3186	2.3186	2.1603	2.1603	2.2943	2.2943	3.3834	3.3834
C2	1.3791		2.5596	2.5596	3.6515	3.6515	1.0960	1.0960	2.9384	2.9384	4.6779	4.6779
C3	1.4876	2.5596		2.3936	1.3877	2.3436	2.8415	3.5446	1.0927	3.4463	2.2172	3.3867
C4	1.4876	2.5596	2.3936		2.3436	1.3877	3.5446	2.8415	3.4463	1.0927	3.3867	2.2172
C5	2.3186	3.6515	1.3877	2.3436		1.4903	4.1462	4.4706	2.2306	3.4098	1.0938	2.2972
C6	2.3186	3.6515	2.3436	1.3877	1.4903		4.4706	4.1462	3.4098	2.2306	2.2972	1.0938
H7	2.1603	1.0960	2.8415	3.5446	4.1462	4.4706		1.8759	2.7960	4.0236	5.0586	5.5430
H8	2.1603	1.0960	3.5446	2.8415	4.4706	4.1462	1.8759		4.0236	2.7960	5.5430	5.0586
H9	2.2943	2.9384	1.0927	3.4463	2.2306	3.4098	2.7960	4.0236		4.4632	2.7028	4.4188
H10	2.2943	2.9384	3.4463	1.0927	3.4098	2.2306	4.0236	2.7960	4.4632		4.4188	2.7028
H11	3.3834	4.6779	2.2172	3.3867	1.0938	2.2972	5.0586	5.5430	2.7028	4.4188		2.7381
H12	3.3834	4.6779	3.3867	2.2172	2.2972	1.0938	5.5430	5.0586	4.4188	2.7028	2.7381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.156	C1	C2	H8	121.156
C1	C3	C5	107.441	C1	C3	H9	124.828
C1	C4	C6	107.441	C1	C4	H10	124.828
C2	C1	C3	126.436	C2	C1	C4	126.436
C3	C1	C4	107.127	C3	C5	C6	108.995
C3	C5	H11	126.225	C4	C6	C5	108.995
C4	C6	H12	126.225	C5	C3	H9	127.731
C5	C6	H12	124.779	C6	C4	H10	127.731
C6	C5	H11	124.779	H7	C2	H8	117.689

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)