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	hartrees
Energy at 0K	-193.468139
Energy at 298.15K	-193.474354
HF Energy	-192.789917
Nuclear repulsion energy	156.138208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3101	3.80
2	A₁	3231	3077	11.73
3	A₁	3057	2911	12.76
4	A₁	1616	1538	1.30
5	A₁	1489	1418	6.88
6	A₁	1439	1370	8.42
7	A₁	1158	1103	0.09
8	A₁	1033	983	0.04
9	A₁	951	906	7.78
10	A₁	819	779	0.01
11	A₂	1161	1105	0.00
12	A₂	906	862	0.00
13	A₂	718	684	0.00
14	A₂	507	483	0.00
15	B₁	3091	2944	13.43
16	B₁	963	917	18.40
17	B₁	930	886	1.13
18	B₁	684	652	70.49
19	B₁	347	330	6.60
20	B₂	3248	3093	27.72
21	B₂	3222	3069	2.00
22	B₂	1682	1602	0.36
23	B₂	1355	1290	1.81
24	B₂	1317	1254	1.00
25	B₂	1143	1088	1.11
26	B₂	1000	953	8.39
27	B₂	821	782	4.19

Atom	x (Å)	y (Å)	z (Å)
H1	0.882	0.000	1.882
H2	-0.882	0.000	1.882
H3	0.000	2.216	0.611
H4	0.000	-2.216	0.611
H5	0.000	1.354	-1.890
H6	0.000	-1.354	-1.890
C7	0.000	1.180	0.282
C8	0.000	-1.180	0.282
C9	0.000	0.000	1.222
C10	0.000	0.738	-0.994
C11	0.000	-0.738	-0.994

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7642	2.7021	2.7021	4.1029	4.1029	2.1748	2.1748	1.1013	3.0967	3.0967
H2	1.7642		2.7021	2.7021	4.1029	4.1029	2.1748	2.1748	1.1013	3.0967	3.0967
H3	2.7021	2.7021		4.4316	2.6452	4.3588	1.0865	3.4121	2.2985	2.1813	3.3620
H4	2.7021	2.7021	4.4316		4.3588	2.6452	3.4121	1.0865	2.2985	3.3620	2.1813
H5	4.1029	4.1029	2.6452	4.3588		2.7084	2.1786	3.3377	3.3938	1.0872	2.2764
H6	4.1029	4.1029	4.3588	2.6452	2.7084		3.3377	2.1786	3.3938	2.2764	1.0872
C7	2.1748	2.1748	1.0865	3.4121	2.1786	3.3377		2.3608	1.5091	1.3500	2.3041
C8	2.1748	2.1748	3.4121	1.0865	3.3377	2.1786	2.3608		1.5091	2.3041	1.3500
C9	1.1013	1.1013	2.2985	2.2985	3.3938	3.3938	1.5091	1.5091		2.3356	2.3356
C10	3.0967	3.0967	2.1813	3.3620	1.0872	2.2764	1.3500	2.3041	2.3356		1.4769
C11	3.0967	3.0967	3.3620	2.1813	2.2764	1.0872	2.3041	1.3500	2.3356	1.4769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.450	H1	C9	C7	111.901
H1	C9	C8	111.901	H2	C9	C7	111.901
H2	C9	C8	111.901	H3	C7	C9	123.820
H3	C7	C10	126.750	H4	C8	C9	123.820
H4	C8	C11	126.750	H5	C10	C7	126.394
H5	C10	C11	124.497	H6	C11	C8	126.394
H6	C11	C10	124.497	C7	C9	C8	102.922
C7	C10	C11	109.109	C8	C11	C10	109.109
C9	C7	C10	109.430	C9	C8	C11	109.430

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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