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	hartrees
Energy at 0K	-193.518179
Energy at 298.15K	-193.524394
HF Energy	-192.806356
Nuclear repulsion energy	155.226529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3127	3.81
2	A₁	3233	3102	8.54
3	A₁	3058	2934	13.97
4	A₁	1599	1534	1.71
5	A₁	1431	1373	2.46
6	A₁	1410	1353	12.83
7	A₁	1127	1081	0.08
8	A₁	1019	977	0.06
9	A₁	936	898	8.65
10	A₁	805	773	0.00
11	A₂	1134	1088	0.00
12	A₂	933	896	0.00
13	A₂	719	690	0.00
14	A₂	507	486	0.00
15	B₁	3100	2974	11.70
16	B₁	946	908	0.78
17	B₁	931	893	22.41
18	B₁	681	653	61.05
19	B₁	341	328	6.02
20	B₂	3251	3119	22.94
21	B₂	3225	3094	1.34
22	B₂	1662	1594	0.09
23	B₂	1333	1279	1.20
24	B₂	1279	1227	0.75
25	B₂	1109	1064	1.23
26	B₂	982	942	8.50
27	B₂	809	776	4.64

Atom	x (Å)	y (Å)	z (Å)
H1	0.889	0.000	1.890
H2	-0.889	0.000	1.890
H3	0.000	2.230	0.614
H4	0.000	-2.230	0.614
H5	0.000	1.366	-1.900
H6	0.000	-1.366	-1.900
C7	0.000	1.186	0.285
C8	0.000	-1.186	0.285
C9	0.000	0.000	1.229
C10	0.000	0.743	-1.000
C11	0.000	-0.743	-1.000

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7784	2.7189	2.7189	4.1255	4.1255	2.1850	2.1850	1.1083	3.1137	3.1137
H2	1.7784		2.7189	2.7189	4.1255	4.1255	2.1850	2.1850	1.1083	3.1137	3.1137
H3	2.7189	2.7189		4.4596	2.6579	4.3868	1.0939	3.4319	2.3130	2.1941	3.3823
H4	2.7189	2.7189	4.4596		4.3868	2.6579	3.4319	1.0939	2.3130	3.3823	2.1941
H5	4.1255	4.1255	2.6579	4.3868		2.7312	2.1923	3.3595	3.4135	1.0944	2.2925
H6	4.1255	4.1255	4.3868	2.6579	2.7312		3.3595	2.1923	3.4135	2.2925	1.0944
C7	2.1850	2.1850	1.0939	3.4319	2.1923	3.3595		2.3727	1.5158	1.3593	2.3180
C8	2.1850	2.1850	3.4319	1.0939	3.3595	2.1923	2.3727		1.5158	2.3180	1.3593
C9	1.1083	1.1083	2.3130	2.3130	3.4135	3.4135	1.5158	1.5158		2.3490	2.3490
C10	3.1137	3.1137	2.1941	3.3823	1.0944	2.2925	1.3593	2.3180	2.3490		1.4857
C11	3.1137	3.1137	3.3823	2.1941	2.2925	1.0944	2.3180	1.3593	2.3490	1.4857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.700	H1	C9	C7	111.812
H1	C9	C8	111.812	H2	C9	C7	111.812
H2	C9	C8	111.812	H3	C7	C9	124.028
H3	C7	C10	126.517	H4	C8	C9	124.028
H4	C8	C11	126.517	H5	C10	C7	126.279
H5	C10	C11	124.681	H6	C11	C8	126.279
H6	C11	C10	124.681	C7	C9	C8	103.009
C7	C10	C11	109.040	C8	C11	C10	109.040
C9	C7	C10	109.455	C9	C8	C11	109.455

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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