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	hartrees
Energy at 0K	-193.498567
Energy at 298.15K	-193.504776
HF Energy	-192.800943
Nuclear repulsion energy	156.870154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3104	3.26
2	A₁	3298	3082	8.34
3	A₁	3117	2913	6.07
4	A₁	1584	1480	1.51
5	A₁	1472	1376	7.06
6	A₁	1448	1353	9.97
7	A₁	1158	1082	0.11
8	A₁	1052	983	0.02
9	A₁	962	899	8.11
10	A₁	818	764	0.03
11	A₂	1145	1070	0.00
12	A₂	912	852	0.00
13	A₂	708	661	0.00
14	A₂	505	472	0.00
15	B₁	3165	2958	7.14
16	B₁	944	882	17.60
17	B₁	934	873	2.75
18	B₁	687	642	60.70
19	B₁	330	309	8.97
20	B₂	3315	3098	19.69
21	B₂	3289	3073	2.92
22	B₂	1659	1550	0.33
23	B₂	1356	1267	1.32
24	B₂	1303	1218	1.14
25	B₂	1141	1066	1.14
26	B₂	1007	941	8.05
27	B₂	820	766	4.86

Atom	x (Å)	y (Å)	z (Å)
H1	0.876	0.000	1.868
H2	-0.876	0.000	1.868
H3	0.000	2.205	0.610
H4	0.000	-2.205	0.610
H5	0.000	1.347	-1.879
H6	0.000	-1.347	-1.879
C7	0.000	1.176	0.285
C8	0.000	-1.176	0.285
C9	0.000	0.000	1.213
C10	0.000	0.731	-0.992
C11	0.000	-0.731	-0.992

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7522	2.6858	2.6858	4.0770	4.0770	2.1579	2.1579	1.0937	3.0793	3.0793
H2	1.7522		2.6858	2.6858	4.0770	4.0770	2.1579	2.1579	1.0937	3.0793	3.0793
H3	2.6858	2.6858		4.4100	2.6324	4.3367	1.0787	3.3967	2.2861	2.1763	3.3447
H4	2.6858	2.6858	4.4100		4.3367	2.6324	3.3967	1.0787	2.2861	3.3447	2.1763
H5	4.0770	4.0770	2.6324	4.3367		2.6934	2.1709	3.3240	3.3728	1.0796	2.2595
H6	4.0770	4.0770	4.3367	2.6324	2.6934		3.3240	2.1709	3.3728	2.2595	1.0796
C7	2.1579	2.1579	1.0787	3.3967	2.1709	3.3240		2.3524	1.4983	1.3523	2.2956
C8	2.1579	2.1579	3.3967	1.0787	3.3240	2.1709	2.3524		1.4983	2.2956	1.3523
C9	1.0937	1.0937	2.2861	2.2861	3.3728	3.3728	1.4983	1.4983		2.3233	2.3233
C10	3.0793	3.0793	2.1763	3.3447	1.0796	2.2595	1.3523	2.2956	2.3233		1.4628
C11	3.0793	3.0793	3.3447	2.1763	2.2595	1.0796	2.2956	1.3523	2.3233	1.4628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.451	H1	C9	C7	111.768
H1	C9	C8	111.768	H2	C9	C7	111.768
H2	C9	C8	111.768	H3	C7	C9	124.223
H3	C7	C10	126.702	H4	C8	C9	124.223
H4	C8	C11	126.702	H5	C10	C7	126.052
H5	C10	C11	124.745	H6	C11	C8	126.052
H6	C11	C10	124.745	C7	C9	C8	103.446
C7	C10	C11	109.203	C8	C11	C10	109.203
C9	C7	C10	109.075	C9	C8	C11	109.075

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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