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	hartrees
Energy at 0K	-193.485725
Energy at 298.15K	-193.491879
HF Energy	-192.806243
Nuclear repulsion energy	155.706799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3113	3.17
2	A₁	3258	3089	6.07
3	A₁	3080	2919	5.50
4	A₁	1554	1473	1.74
5	A₁	1417	1343	0.05
6	A₁	1395	1323	21.88
7	A₁	1122	1064	0.16
8	A₁	1037	983	0.04
9	A₁	947	898	10.62
10	A₁	804	762	0.02
11	A₂	1114	1056	0.00
12	A₂	928	879	0.00
13	A₂	703	667	0.00
14	A₂	507	481	0.00
15	B₁	3131	2969	4.88
16	B₁	938	889	1.19
17	B₁	908	861	24.21
18	B₁	681	645	59.79
19	B₁	325	308	9.18
20	B₂	3276	3105	15.73
21	B₂	3249	3080	2.20
22	B₂	1626	1541	0.25
23	B₂	1321	1253	1.52
24	B₂	1260	1194	0.92
25	B₂	1101	1044	1.99
26	B₂	989	938	9.82
27	B₂	807	765	4.99

Atom	x (Å)	y (Å)	z (Å)
H1	0.886	0.000	1.882
H2	-0.886	0.000	1.882
H3	0.000	2.225	0.615
H4	0.000	-2.225	0.615
H5	0.000	1.360	-1.896
H6	0.000	-1.360	-1.896
C7	0.000	1.183	0.289
C8	0.000	-1.183	0.289
C9	0.000	0.000	1.220
C10	0.000	0.736	-1.000
C11	0.000	-0.736	-1.000

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7726	2.7097	2.7097	4.1122	4.1122	2.1732	2.1732	1.1064	3.1036	3.1036
H2	1.7726		2.7097	2.7097	4.1122	4.1122	2.1732	2.1732	1.1064	3.1036	3.1036
H3	2.7097	2.7097		4.4497	2.6553	4.3768	1.0918	3.4232	2.3057	2.1964	3.3720
H4	2.7097	2.7097	4.4497		4.3768	2.6553	3.4232	1.0918	2.3057	3.3720	2.1964
H5	4.1122	4.1122	2.6553	4.3768		2.7206	2.1921	3.3528	3.3998	1.0925	2.2795
H6	4.1122	4.1122	4.3768	2.6553	2.7206		3.3528	2.1921	3.3998	2.2795	1.0925
C7	2.1732	2.1732	1.0918	3.4232	2.1921	3.3528		2.3656	1.5052	1.3641	2.3111
C8	2.1732	2.1732	3.4232	1.0918	3.3528	2.1921	2.3656		1.5052	2.3111	1.3641
C9	1.1064	1.1064	2.3057	2.3057	3.3998	3.3998	1.5052	1.5052		2.3383	2.3383
C10	3.1036	3.1036	2.1964	3.3720	1.0925	2.2795	1.3641	2.3111	2.3383		1.4713
C11	3.1036	3.1036	3.3720	2.1964	2.2795	1.0925	2.3111	1.3641	2.3383	1.4713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.463	H1	C9	C7	111.728
H1	C9	C8	111.728	H2	C9	C7	111.728
H2	C9	C8	111.728	H3	C7	C9	124.441
H3	C7	C10	126.490	H4	C8	C9	124.441
H4	C8	C11	126.490	H5	C10	C7	125.987
H5	C10	C11	124.877	H6	C11	C8	125.987
H6	C11	C10	124.877	C7	C9	C8	103.591
C7	C10	C11	109.136	C8	C11	C10	109.136
C9	C7	C10	109.069	C9	C8	C11	109.069

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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