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	hartrees
Energy at 0K	-193.663328
Energy at 298.15K	-193.669542
HF Energy	-192.857393
Nuclear repulsion energy	156.943393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3106	2.63
2	A₁	3247	3083	5.59
3	A₁	3068	2913	4.58
4	A₁	1536	1459	0.70
5	A₁	1418	1346	2.04
6	A₁	1404	1333	22.41
7	A₁	1129	1072	0.12
8	A₁	1033	980	0.22
9	A₁	943	896	10.55
10	A₁	807	766	0.01
11	A₂	1123	1066	0.00
12	A₂	941	894	0.00
13	A₂	706	671	0.00
14	A₂	516	490	0.00
15	B₁	3111	2954	3.26
16	B₁	947	900	0.50
17	B₁	911	865	31.89
18	B₁	681	647	67.63
19	B₁	334	317	7.76
20	B₂	3264	3099	13.56
21	B₂	3238	3074	2.12
22	B₂	1614	1533	0.14
23	B₂	1321	1254	1.23
24	B₂	1263	1200	1.53
25	B₂	1109	1053	1.29
26	B₂	989	939	11.07
27	B₂	811	770	5.02

Atom	x (Å)	y (Å)	z (Å)
H1	0.881	0.000	1.858
H2	-0.881	0.000	1.858
H3	0.000	2.203	0.622
H4	0.000	-2.203	0.622
H5	0.000	1.336	-1.883
H6	0.000	-1.336	-1.883
C7	0.000	1.178	0.284
C8	0.000	-1.178	0.284
C9	0.000	0.000	1.210
C10	0.000	0.732	-0.989
C11	0.000	-0.732	-0.989

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7615	2.6749	2.6749	4.0689	4.0689	2.1538	2.1538	1.0931	3.0685	3.0685
H2	1.7615		2.6749	2.6749	4.0689	4.0689	2.1538	2.1538	1.0931	3.0685	3.0685
H3	2.6749	2.6749		4.4056	2.6509	4.3358	1.0787	3.3978	2.2800	2.1811	3.3481
H4	2.6749	2.6749	4.4056		4.3358	2.6509	3.3978	1.0787	2.2800	3.3481	2.1811
H5	4.0689	4.0689	2.6509	4.3358		2.6721	2.1736	3.3198	3.3699	1.0791	2.2535
H6	4.0689	4.0689	4.3358	2.6509	2.6721		3.3198	2.1736	3.3699	2.2535	1.0791
C7	2.1538	2.1538	1.0787	3.3978	2.1736	3.3198		2.3564	1.4984	1.3493	2.2961
C8	2.1538	2.1538	3.3978	1.0787	3.3198	2.1736	2.3564		1.4984	2.2961	1.3493
C9	1.0931	1.0931	2.2800	2.2800	3.3699	3.3699	1.4984	1.4984		2.3180	2.3180
C10	3.0685	3.0685	2.1811	3.3481	1.0791	2.2535	1.3493	2.2961	2.3180		1.4647
C11	3.0685	3.0685	3.3481	2.1811	2.2535	1.0791	2.2961	1.3493	2.3180	1.4647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.365	H1	C9	C7	111.465
H1	C9	C8	111.465	H2	C9	C7	111.465
H2	C9	C8	111.465	H3	C7	C9	123.615
H3	C7	C10	127.521	H4	C8	C9	123.615
H4	C8	C11	127.521	H5	C10	C7	126.684
H5	C10	C11	124.020	H6	C11	C8	126.684
H6	C11	C10	124.020	C7	C9	C8	103.680
C7	C10	C11	109.296	C8	C11	C10	109.296
C9	C7	C10	108.864	C9	C8	C11	108.864

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

using model chemistry: MP2/cc-pVTZ

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-pVTZ

States and conformations

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