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	hartrees
Energy at 0K	-193.509735
Energy at 298.15K	-193.515989
HF Energy	-192.801454
Nuclear repulsion energy	156.520904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3108	4.02
2	A₁	3289	3084	11.18
3	A₁	3109	2915	12.97
4	A₁	1633	1531	1.68
5	A₁	1496	1403	5.01
6	A₁	1455	1364	7.02
7	A₁	1166	1094	0.03
8	A₁	1039	974	0.03
9	A₁	956	897	6.64
10	A₁	820	769	0.01
11	A₂	1167	1094	0.00
12	A₂	925	867	0.00
13	A₂	724	679	0.00
14	A₂	508	476	0.00
15	B₁	3150	2953	13.73
16	B₁	966	905	17.25
17	B₁	949	890	2.84
18	B₁	689	646	61.18
19	B₁	344	323	6.00
20	B₂	3306	3100	28.06
21	B₂	3280	3076	1.67
22	B₂	1703	1597	0.05
23	B₂	1370	1285	1.22
24	B₂	1327	1244	0.51
25	B₂	1151	1079	0.61
26	B₂	1006	943	6.16
27	B₂	825	774	3.65

Atom	x (Å)	y (Å)	z (Å)
H1	0.878	0.000	1.874
H2	-0.878	0.000	1.874
H3	0.000	2.208	0.608
H4	0.000	-2.208	0.608
H5	0.000	1.350	-1.881
H6	0.000	-1.350	-1.881
C7	0.000	1.179	0.281
C8	0.000	-1.179	0.281
C9	0.000	0.000	1.220
C10	0.000	0.738	-0.992
C11	0.000	-0.738	-0.992

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7555	2.6924	2.6924	4.0865	4.0865	2.1676	2.1676	1.0946	3.0868	3.0868
H2	1.7555		2.6924	2.6924	4.0865	4.0865	2.1676	2.1676	1.0946	3.0868	3.0868
H3	2.6924	2.6924		4.4158	2.6330	4.3426	1.0796	3.4026	2.2913	2.1727	3.3518
H4	2.6924	2.6924	4.4158		4.3426	2.6330	3.4026	1.0796	2.2913	3.3518	2.1727
H5	4.0865	4.0865	2.6330	4.3426		2.7006	2.1694	3.3277	3.3829	1.0803	2.2696
H6	4.0865	4.0865	4.3426	2.6330	2.7006		3.3277	2.1694	3.3829	2.2696	1.0803
C7	2.1676	2.1676	1.0796	3.4026	2.1694	3.3277		2.3579	1.5073	1.3472	2.3007
C8	2.1676	2.1676	3.4026	1.0796	3.3277	2.1694	2.3579		1.5073	2.3007	1.3472
C9	1.0946	1.0946	2.2913	2.2913	3.3829	3.3829	1.5073	1.5073		2.3317	2.3317
C10	3.0868	3.0868	2.1727	3.3518	1.0803	2.2696	1.3472	2.3007	2.3317		1.4752
C11	3.0868	3.0868	3.3518	2.1727	2.2696	1.0803	2.3007	1.3472	2.3317	1.4752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.622	H1	C9	C7	111.856
H1	C9	C8	111.856	H2	C9	C7	111.856
H2	C9	C8	111.856	H3	C7	C9	123.840
H3	C7	C10	126.742	H4	C8	C9	123.840
H4	C8	C11	126.742	H5	C10	C7	126.325
H5	C10	C11	124.551	H6	C11	C8	126.325
H6	C11	C10	124.551	C7	C9	C8	102.918
C7	C10	C11	109.124	C8	C11	C10	109.124
C9	C7	C10	109.418	C9	C8	C11	109.418

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

using model chemistry: CCD/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 C5H6 (1,3-Cyclopentadiene)

using model chemistry: CCD/6-31G**

States and conformations

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