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	hartrees
Energy at 0K	-192.202516
Energy at 298.15K	-192.208746
HF Energy	-191.713162
Nuclear repulsion energy	154.373560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3122	3.04
2	A₁	3191	3093	7.95
3	A₁	3039	2946	7.88
4	A₁	1552	1504	0.14
5	A₁	1511	1464	7.82
6	A₁	1401	1358	7.26
7	A₁	1166	1130	0.18
8	A₁	952	922	0.04
9	A₁	876	849	5.90
10	A₁	836	810	0.01
11	A₂	1190	1154	0.00
12	A₂	911	883	0.00
13	A₂	726	704	0.00
14	A₂	516	500	0.00
15	B₁	3076	2981	10.49
16	B₁	972	942	12.58
17	B₁	930	902	2.98
18	B₁	676	655	89.97
19	B₁	358	347	6.78
20	B₂	3210	3111	22.49
21	B₂	3182	3084	1.56
22	B₂	1616	1567	0.75
23	B₂	1349	1308	0.12
24	B₂	1281	1241	5.76
25	B₂	1152	1117	0.69
26	B₂	951	922	8.19
27	B₂	830	805	1.16

Atom	x (Å)	y (Å)	z (Å)
H1	0.894	0.000	1.891
H2	-0.894	0.000	1.891
H3	0.000	2.233	0.610
H4	0.000	-2.233	0.610
H5	0.000	1.364	-1.901
H6	0.000	-1.364	-1.901
C7	0.000	1.199	0.279
C8	0.000	-1.199	0.279
C9	0.000	0.000	1.248
C10	0.000	0.752	-1.003
C11	0.000	-0.752	-1.003

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7874	2.7251	2.7251	4.1276	4.1276	2.1986	2.1986	1.1012	3.1206	3.1206
H2	1.7874		2.7251	2.7251	4.1276	4.1276	2.1986	2.1986	1.1012	3.1206	3.1206
H3	2.7251	2.7251		4.4661	2.6570	4.3865	1.0859	3.4477	2.3223	2.1892	3.3930
H4	2.7251	2.7251	4.4661		4.3865	2.6570	3.4477	1.0859	2.3223	3.3930	2.1892
H5	4.1276	4.1276	2.6570	4.3865		2.7276	2.1863	3.3644	3.4312	1.0866	2.2989
H6	4.1276	4.1276	4.3865	2.6570	2.7276		3.3644	2.1863	3.4312	2.2989	1.0866
C7	2.1986	2.1986	1.0859	3.4477	2.1863	3.3644		2.3975	1.5411	1.3574	2.3345
C8	2.1986	2.1986	3.4477	1.0859	3.3644	2.1863	2.3975		1.5411	2.3345	1.3574
C9	1.1012	1.1012	2.3223	2.3223	3.4312	3.4312	1.5411	1.5411		2.3728	2.3728
C10	3.1206	3.1206	2.1892	3.3930	1.0866	2.2989	1.3574	2.3345	2.3728		1.5047
C11	3.1206	3.1206	3.3930	2.1892	2.2989	1.0866	2.3345	1.3574	2.3728	1.5047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	108.505	H1	C9	C7	111.540
H1	C9	C8	111.540	H2	C9	C7	111.540
H2	C9	C8	111.540	H3	C7	C9	123.332
H3	C7	C10	126.934	H4	C8	C9	123.332
H4	C8	C11	126.934	H5	C10	C7	126.553
H5	C10	C11	124.245	H6	C11	C8	126.553
H6	C11	C10	124.245	C7	C9	C8	102.129
C7	C10	C11	109.202	C8	C11	C10	109.202
C9	C7	C10	109.734	C9	C8	C11	109.734

All results from a given calculation for C₅H₆ (1,3-Cyclopentadiene)

using model chemistry: QCISD/3-21G

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 C5H6 (1,3-Cyclopentadiene)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₅H₆ (1,3-Cyclopentadiene)