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	hartrees
Energy at 0K	-192.837277
Energy at 298.15K	-192.843809
HF Energy	-192.837277
Nuclear repulsion energy	157.427219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3065	4.86
2	A₁	3346	3040	14.70
3	A₁	3159	2870	23.42
4	A₁	1717	1560	1.62
5	A₁	1553	1411	4.57
6	A₁	1514	1375	14.26
7	A₁	1218	1106	0.27
8	A₁	1058	961	0.55
9	A₁	976	887	8.80
10	A₁	866	787	0.00
11	A₂	1241	1128	0.00
12	A₂	1070	972	0.00
13	A₂	807	733	0.00
14	A₂	559	508	0.00
15	B₁	3185	2893	23.69
16	B₁	1081	982	2.40
17	B₁	1023	929	38.29
18	B₁	745	677	85.40
19	B₁	379	344	5.31
20	B₂	3365	3057	33.33
21	B₂	3337	3032	1.53
22	B₂	1792	1628	0.21
23	B₂	1437	1306	1.51
24	B₂	1393	1265	1.53
25	B₂	1201	1091	1.47
26	B₂	1029	935	14.16
27	B₂	868	788	6.80

Atom	x (Å)	y (Å)	z (Å)
H1	0.875	0.000	1.865
H2	-0.875	0.000	1.865
H3	0.000	2.199	0.596
H4	0.000	-2.199	0.596
H5	0.000	1.347	-1.866
H6	0.000	-1.347	-1.866
C7	0.000	1.174	0.274
C8	0.000	-1.174	0.274
C9	0.000	0.000	1.216
C10	0.000	0.739	-0.981
C11	0.000	-0.739	-0.981

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7501	2.6854	2.6854	4.0620	4.0620	2.1626	2.1626	1.0893	3.0672	3.0672
H2	1.7501		2.6854	2.6854	4.0620	4.0620	2.1626	2.1626	1.0893	3.0672	3.0672
H3	2.6854	2.6854		4.3977	2.6052	4.3163	1.0737	3.3887	2.2847	2.1486	3.3337
H4	2.6854	2.6854	4.3977		4.3163	2.6052	3.3887	1.0737	2.2847	3.3337	2.1486
H5	4.0620	4.0620	2.6052	4.3163		2.6931	2.1469	3.3069	3.3636	1.0742	2.2655
H6	4.0620	4.0620	4.3163	2.6052	2.6931		3.3069	2.1469	3.3636	2.2655	1.0742
C7	2.1626	2.1626	1.0737	3.3887	2.1469	3.3069		2.3490	1.5058	1.3279	2.2877
C8	2.1626	2.1626	3.3887	1.0737	3.3069	2.1469	2.3490		1.5058	2.2877	1.3279
C9	1.0893	1.0893	2.2847	2.2847	3.3636	3.3636	1.5058	1.5058		2.3175	2.3175
C10	3.0672	3.0672	2.1486	3.3337	1.0742	2.2655	1.3279	2.2877	2.3175		1.4773
C11	3.0672	3.0672	3.3337	2.1486	2.2655	1.0742	2.2877	1.3279	2.3175	1.4773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.895	H1	C9	C7	111.882
H1	C9	C8	111.882	H2	C9	C7	111.882
H2	C9	C8	111.882	H3	C7	C9	123.814
H3	C7	C10	126.606	H4	C8	C9	123.814
H4	C8	C11	126.606	H5	C10	C7	126.374
H5	C10	C11	124.465	H6	C11	C8	126.374
H6	C11	C10	124.465	C7	C9	C8	102.518
C7	C10	C11	109.161	C8	C11	C10	109.161
C9	C7	C10	109.580	C9	C8	C11	109.580

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

using model chemistry: HF/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.121
2	H	0.121
3	H	0.101
4	H	0.101
5	H	0.097
6	H	0.097
7	C	-0.157
8	C	-0.157
9	C	-0.126
10	C	-0.100
11	C	-0.100

<r²>	92.472
(<r²>)^1/2	9.616

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

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

States and conformations

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