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	hartrees
Energy at 0K	-193.532742
Energy at 298.15K	-193.538933
HF Energy	-192.824708
Nuclear repulsion energy	155.953006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3094	4.72
2	A₁	3207	3070	12.26
3	A₁	3037	2908	14.04
4	A₁	1589	1521	1.06
5	A₁	1464	1402	9.29
6	A₁	1418	1358	11.07
7	A₁	1141	1092	0.18
8	A₁	1020	976	0.11
9	A₁	940	900	9.37
10	A₁	813	778	0.00
11	A₂	1155	1106	0.00
12	A₂	894	856	0.00
13	A₂	707	677	0.00
14	A₂	505	484	0.00
15	B₁	3072	2941	13.17
16	B₁	943	903	23.58
17	B₁	919	880	3.45
18	B₁	674	645	89.50
19	B₁	339	325	6.22
20	B₂	3224	3086	29.15
21	B₂	3198	3062	1.21
22	B₂	1656	1586	0.31
23	B₂	1338	1281	2.42
24	B₂	1298	1243	1.30
25	B₂	1124	1076	1.42
26	B₂	989	947	10.95
27	B₂	817	782	4.34

Atom	x (Å)	y (Å)	z (Å)
H1	0.882	0.000	1.881
H2	-0.882	0.000	1.881
H3	0.000	2.219	0.609
H4	0.000	-2.219	0.609
H5	0.000	1.358	-1.889
H6	0.000	-1.358	-1.889
C7	0.000	1.182	0.282
C8	0.000	-1.182	0.282
C9	0.000	0.000	1.224
C10	0.000	0.740	-0.995
C11	0.000	-0.740	-0.995

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7650	2.7053	2.7053	4.1034	4.1034	2.1756	2.1756	1.1006	3.0980	3.0980
H2	1.7650		2.7053	2.7053	4.1034	4.1034	2.1756	2.1756	1.1006	3.0980	3.0980
H3	2.7053	2.7053		4.4371	2.6423	4.3629	1.0864	3.4167	2.3020	2.1812	3.3658
H4	2.7053	2.7053	4.4371		4.3629	2.6423	3.4167	1.0864	2.3020	3.3658	2.1812
H5	4.1034	4.1034	2.6423	4.3629		2.7164	2.1785	3.3422	3.3960	1.0869	2.2813
H6	4.1034	4.1034	4.3629	2.6423	2.7164		3.3422	2.1785	3.3960	2.2813	1.0869
C7	2.1756	2.1756	1.0864	3.4167	2.1785	3.3422		2.3650	1.5113	1.3514	2.3084
C8	2.1756	2.1756	3.4167	1.0864	3.3422	2.1785	2.3650		1.5113	2.3084	1.3514
C9	1.1006	1.1006	2.3020	2.3020	3.3960	3.3960	1.5113	1.5113		2.3386	2.3386
C10	3.0980	3.0980	2.1812	3.3658	1.0869	2.2813	1.3514	2.3084	2.3386		1.4809
C11	3.0980	3.0980	3.3658	2.1812	2.2813	1.0869	2.3084	1.3514	2.3386	1.4809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.614	H1	C9	C7	111.846
H1	C9	C8	111.846	H2	C9	C7	111.846
H2	C9	C8	111.846	H3	C7	C9	123.971
H3	C7	C10	126.603	H4	C8	C9	123.971
H4	C8	C11	126.603	H5	C10	C7	126.274
H5	C10	C11	124.635	H6	C11	C8	126.274
H6	C11	C10	124.635	C7	C9	C8	102.964
C7	C10	C11	109.092	C8	C11	C10	109.092
C9	C7	C10	109.426	C9	C8	C11	109.426

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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