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	hartrees
Energy at 0K	-231.477271
Energy at 298.15K	-231.482788
HF Energy	-230.640634
Nuclear repulsion energy	199.708127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3243	3096
2	A₁	3220	3074
3	A₁	3158	3015
4	A₁	1697	1620
5	A₁	1544	1474
6	A₁	1473	1406
7	A₁	1387	1324
8	A₁	1121	1070
9	A₁	1016	970
10	A₁	915	874
11	A₁	673	643
12	A₂	833	795
13	A₂	756	722
14	A₂	661	631
15	A₂	461	440
16	B₁	899	858
17	B₁	865	826
18	B₁	735	702
19	B₁	602	575
20	B₁	190	182
21	B₂	3245	3099
22	B₂	3236	3090
23	B₂	3212	3066
24	B₂	1613	1540
25	B₂	1362	1300
26	B₂	1273	1216
27	B₂	1120	1069
28	B₂	973	929
29	B₂	807	770
30	B₂	336	321

Atom	y (Å)	z (Å)
C1	0.000	0.761
C2	0.000	2.114
C3	1.182	-0.125
C4	-1.182	-0.125
C5	0.740	-1.413
C6	-0.740	-1.413
H7	0.929	2.685
H8	-0.929	2.685
H9	2.212	0.225
H10	-2.212	0.225
H11	1.356	-2.310
H12	-1.356	-2.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3534	1.4767	1.4767	2.2958	2.2958	2.1369	2.1369	2.2762	2.2762	3.3566	3.3566
C2	1.3534		2.5315	2.5315	3.6035	3.6035	1.0902	1.0902	2.9093	2.9093	4.6270	4.6270
C3	1.4767	2.5315		2.3642	1.3620	2.3137	2.8211	3.5142	1.0877	3.4123	2.1922	3.3494
C4	1.4767	2.5315	2.3642		2.3137	1.3620	3.5142	2.8211	3.4123	1.0877	3.3494	2.1922
C5	2.2958	3.6035	1.3620	2.3137		1.4797	4.1022	4.4245	2.2020	3.3758	1.0884	2.2800
C6	2.2958	3.6035	2.3137	1.3620	1.4797		4.4245	4.1022	3.3758	2.2020	2.2800	1.0884
H7	2.1369	1.0902	2.8211	3.5142	4.1022	4.4245		1.8572	2.7753	3.9899	5.0133	5.4928
H8	2.1369	1.0902	3.5142	2.8211	4.4245	4.1022	1.8572		3.9899	2.7753	5.4928	5.0133
H9	2.2762	2.9093	1.0877	3.4123	2.2020	3.3758	2.7753	3.9899		4.4245	2.6751	4.3769
H10	2.2762	2.9093	3.4123	1.0877	3.3758	2.2020	3.9899	2.7753	4.4245		4.3769	2.6751
H11	3.3566	4.6270	2.1922	3.3494	1.0884	2.2800	5.0133	5.4928	2.6751	4.3769		2.7124
H12	3.3566	4.6270	3.3494	2.1922	2.2800	1.0884	5.4928	5.0133	4.3769	2.6751	2.7124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H7	121.596	C1	C2	H8	121.596
C1	C3	C5	107.877	C1	C3	H9	124.452
C1	C4	C6	107.877	C1	C4	H10	124.452
C2	C1	C3	126.825	C2	C1	C4	126.825
C3	C1	C4	106.351	C3	C5	C6	108.948
C3	C5	H11	126.564	C4	C6	C5	108.948
C4	C6	H12	126.564	C5	C3	H9	127.671
C5	C6	H12	124.488	C6	C4	H10	127.671
C6	C5	H11	124.488	H7	C2	H8	116.808

All results from a given calculation for C₆H₆ (Fulvene)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Fulvene)