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	hartrees
Energy at 0K	-193.516364
Energy at 298.15K	-193.522605
HF Energy	-192.801201
Nuclear repulsion energy	156.354497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3110	4.22
2	A₁	3279	3087	11.82
3	A₁	3098	2917	14.73
4	A₁	1622	1527	1.53
5	A₁	1493	1405	4.66
6	A₁	1449	1364	6.87
7	A₁	1162	1094	0.04
8	A₁	1033	973	0.04
9	A₁	951	896	6.60
10	A₁	817	769	0.01
11	A₂	1163	1095	0.00
12	A₂	922	868	0.00
13	A₂	723	680	0.00
14	A₂	506	477	0.00
15	B₁	3137	2953	14.97
16	B₁	962	906	18.22
17	B₁	944	889	1.63
18	B₁	688	647	60.74
19	B₁	344	324	5.88
20	B₂	3296	3103	29.18
21	B₂	3270	3078	1.86
22	B₂	1689	1590	0.13
23	B₂	1364	1284	1.04
24	B₂	1321	1244	0.80
25	B₂	1146	1079	0.62
26	B₂	1000	941	7.13
27	B₂	821	773	4.38

Atom	x (Å)	y (Å)	z (Å)
H1	0.878	0.000	1.876
H2	-0.878	0.000	1.876
H3	0.000	2.210	0.609
H4	0.000	-2.210	0.609
H5	0.000	1.351	-1.883
H6	0.000	-1.351	-1.883
C7	0.000	1.180	0.282
C8	0.000	-1.180	0.282
C9	0.000	0.000	1.222
C10	0.000	0.738	-0.993
C11	0.000	-0.738	-0.993

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7565	2.6944	2.6944	4.0903	4.0903	2.1692	2.1692	1.0952	3.0901	3.0901
H2	1.7565		2.6944	2.6944	4.0903	4.0903	2.1692	2.1692	1.0952	3.0901	3.0901
H3	2.6944	2.6944		4.4192	2.6357	4.3463	1.0802	3.4053	2.2931	2.1751	3.3550
H4	2.6944	2.6944	4.4192		4.3463	2.6357	3.4053	1.0802	2.2931	3.3550	2.1751
H5	4.0903	4.0903	2.6357	4.3463		2.7026	2.1720	3.3310	3.3864	1.0809	2.2712
H6	4.0903	4.0903	4.3463	2.6357	2.7026		3.3310	2.1720	3.3864	2.2712	1.0809
C7	2.1692	2.1692	1.0802	3.4053	2.1720	3.3310		2.3601	1.5086	1.3494	2.3034
C8	2.1692	2.1692	3.4053	1.0802	3.3310	2.1720	2.3601		1.5086	2.3034	1.3494
C9	1.0952	1.0952	2.2931	2.2931	3.3864	3.3864	1.5086	1.5086		2.3348	2.3348
C10	3.0901	3.0901	2.1751	3.3550	1.0809	2.2712	1.3494	2.3034	2.3348		1.4765
C11	3.0901	3.0901	3.3550	2.1751	2.2712	1.0809	2.3034	1.3494	2.3348	1.4765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.628	H1	C9	C7	111.852
H1	C9	C8	111.852	H2	C9	C7	111.852
H2	C9	C8	111.852	H3	C7	C9	123.850
H3	C7	C10	126.723	H4	C8	C9	123.850
H4	C8	C11	126.723	H5	C10	C7	126.335
H5	C10	C11	124.555	H6	C11	C8	126.335
H6	C11	C10	124.555	C7	C9	C8	102.925
C7	C10	C11	109.111	C8	C11	C10	109.111
C9	C7	C10	109.427	C9	C8	C11	109.427

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

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

States and conformations

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