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	hartrees
Energy at 0K	-193.481773
Energy at 298.15K	-193.488016
HF Energy	-192.790578
Nuclear repulsion energy	156.550533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3089	3.21
2	A₁	3268	3067	9.50
3	A₁	3090	2900	8.67
4	A₁	1633	1532	1.49
5	A₁	1493	1401	8.55
6	A₁	1452	1363	9.47
7	A₁	1169	1097	0.12
8	A₁	1044	979	0.05
9	A₁	960	900	8.64
10	A₁	827	776	0.01
11	A₂	1167	1095	0.00
12	A₂	914	857	0.00
13	A₂	722	678	0.00
14	A₂	512	480	0.00
15	B₁	3126	2933	10.17
16	B₁	966	906	18.75
17	B₁	941	883	2.06
18	B₁	690	647	72.79
19	B₁	347	325	7.51
20	B₂	3285	3082	23.17
21	B₂	3259	3058	2.45
22	B₂	1705	1599	0.43
23	B₂	1367	1283	1.97
24	B₂	1326	1244	0.92
25	B₂	1153	1082	1.29
26	B₂	1009	947	8.44
27	B₂	830	779	4.22

Atom	x (Å)	y (Å)	z (Å)
H1	0.882	0.000	1.867
H2	-0.882	0.000	1.867
H3	0.000	2.211	0.619
H4	0.000	-2.211	0.619
H5	0.000	1.342	-1.886
H6	0.000	-1.342	-1.886
C7	0.000	1.182	0.281
C8	0.000	-1.182	0.281
C9	0.000	0.000	1.214
C10	0.000	0.737	-0.987
C11	0.000	-0.737	-0.987

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7641	2.6877	2.6877	4.0821	4.0821	2.1656	2.1656	1.0975	3.0765	3.0765
H2	1.7641		2.6877	2.6877	4.0821	4.0821	2.1656	2.1656	1.0975	3.0765	3.0765
H3	2.6877	2.6877		4.4217	2.6513	4.3470	1.0834	3.4092	2.2896	2.1798	3.3565
H4	2.6877	2.6877	4.4217		4.3470	2.6513	3.4092	1.0834	2.2896	3.3565	2.1798
H5	4.0821	4.0821	2.6513	4.3470		2.6838	2.1729	3.3261	3.3780	1.0839	2.2647
H6	4.0821	4.0821	4.3470	2.6513	2.6838		3.3261	2.1729	3.3780	2.2647	1.0839
C7	2.1656	2.1656	1.0834	3.4092	2.1729	3.3261		2.3630	1.5055	1.3435	2.2992
C8	2.1656	2.1656	3.4092	1.0834	3.3261	2.1729	2.3630		1.5055	2.2992	1.3435
C9	1.0975	1.0975	2.2896	2.2896	3.3780	3.3780	1.5055	1.5055		2.3208	2.3208
C10	3.0765	3.0765	2.1798	3.3565	1.0839	2.2647	1.3435	2.2992	2.3208		1.4733
C11	3.0765	3.0765	3.3565	2.1798	2.2647	1.0839	2.2992	1.3435	2.3208	1.4733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.973	H1	C9	C7	111.640
H1	C9	C8	111.640	H2	C9	C7	111.640
H2	C9	C8	111.640	H3	C7	C9	123.524
H3	C7	C10	127.513	H4	C8	C9	123.524
H4	C8	C11	127.513	H5	C10	C7	126.720
H5	C10	C11	123.944	H6	C11	C8	126.720
H6	C11	C10	123.944	C7	C9	C8	103.400
C7	C10	C11	109.336	C8	C11	C10	109.336
C9	C7	C10	108.964	C9	C8	C11	108.964

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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