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	hartrees
Energy at 0K	-193.473173
Energy at 298.15K	-193.479341
HF Energy	-192.806006
Nuclear repulsion energy	155.571883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3122	3.22
2	A₁	3252	3098	6.23
3	A₁	3074	2928	5.69
4	A₁	1551	1477	1.71
5	A₁	1415	1348	0.05
6	A₁	1394	1328	21.51
7	A₁	1121	1067	0.16
8	A₁	1035	986	0.04
9	A₁	945	900	10.50
10	A₁	802	764	0.02
11	A₂	1113	1060	0.00
12	A₂	922	879	0.00
13	A₂	700	667	0.00
14	A₂	505	481	0.00
15	B₁	3125	2977	5.08
16	B₁	934	890	1.53
17	B₁	907	864	23.45
18	B₁	678	646	60.20
19	B₁	325	309	9.11
20	B₂	3270	3114	16.08
21	B₂	3243	3089	2.20
22	B₂	1623	1546	0.24
23	B₂	1319	1257	1.48
24	B₂	1258	1198	0.93
25	B₂	1100	1048	1.96
26	B₂	988	941	9.69
27	B₂	806	768	4.96

Atom	x (Å)	y (Å)	z (Å)
H1	0.887	0.000	1.884
H2	-0.887	0.000	1.884
H3	0.000	2.227	0.615
H4	0.000	-2.227	0.615
H5	0.000	1.362	-1.897
H6	0.000	-1.362	-1.897
C7	0.000	1.184	0.289
C8	0.000	-1.184	0.289
C9	0.000	0.000	1.221
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		1.7745	2.7121	2.7121	4.1158	4.1158	2.1753	2.1753	1.1074	3.1063	3.1063
H2	1.7745		2.7121	2.7121	4.1158	4.1158	2.1753	2.1753	1.1074	3.1063	3.1063
H3	2.7121	2.7121		4.4536	2.6575	4.3806	1.0928	3.4262	2.3078	2.1981	3.3749
H4	2.7121	2.7121	4.4536		4.3806	2.6575	3.4262	1.0928	2.3078	3.3749	2.1981
H5	4.1158	4.1158	2.6575	4.3806		2.7230	2.1939	3.3556	3.4029	1.0934	2.2816
H6	4.1158	4.1158	4.3806	2.6575	2.7230		3.3556	2.1939	3.4029	2.2816	1.0934
C7	2.1753	2.1753	1.0928	3.4262	2.1939	3.3556		2.3676	1.5067	1.3650	2.3130
C8	2.1753	2.1753	3.4262	1.0928	3.3556	2.1939	2.3676		1.5067	2.3130	1.3650
C9	1.1074	1.1074	2.3078	2.3078	3.4029	3.4029	1.5067	1.5067		2.3404	2.3404
C10	3.1063	3.1063	2.1981	3.3749	1.0934	2.2816	1.3650	2.3130	2.3404		1.4726
C11	3.1063	3.1063	3.3749	2.1981	2.2816	1.0934	2.3130	1.3650	2.3404	1.4726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.480	H1	C9	C7	111.728
H1	C9	C8	111.728	H2	C9	C7	111.728
H2	C9	C8	111.728	H3	C7	C9	124.429
H3	C7	C10	126.494	H4	C8	C9	124.429
H4	C8	C11	126.494	H5	C10	C7	125.989
H5	C10	C11	124.874	H6	C11	C8	125.989
H6	C11	C10	124.874	C7	C9	C8	103.573
C7	C10	C11	109.137	C8	C11	C10	109.137
C9	C7	C10	109.077	C9	C8	C11	109.077

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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