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	hartrees
Energy at 0K	-192.719043
Energy at 298.15K	-192.725657
HF Energy	-192.719043
Nuclear repulsion energy	157.089040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3429	3096	5.86
2	A₁	3397	3067	11.17
3	A₁	3183	2874	16.60
4	A₁	1726	1558	1.88
5	A₁	1592	1438	10.81
6	A₁	1536	1387	9.51
7	A₁	1249	1128	0.26
8	A₁	1074	970	0.07
9	A₁	983	888	9.75
10	A₁	896	809	0.00
11	A₂	1263	1140	0.00
12	A₂	1116	1008	0.00
13	A₂	842	760	0.00
14	A₂	582	525	0.00
15	B₁	3215	2903	19.23
16	B₁	1117	1009	2.40
17	B₁	1048	946	34.66
18	B₁	774	699	105.70
19	B₁	395	357	7.54
20	B₂	3417	3085	35.33
21	B₂	3388	3059	1.43
22	B₂	1802	1627	0.97
23	B₂	1461	1319	0.35
24	B₂	1416	1278	5.61
25	B₂	1235	1115	1.39
26	B₂	1054	952	14.74
27	B₂	899	812	5.06

Atom	x (Å)	y (Å)	z (Å)
H1	0.873	0.000	1.869
H2	-0.873	0.000	1.869
H3	0.000	2.198	0.600
H4	0.000	-2.198	0.600
H5	0.000	1.342	-1.870
H6	0.000	-1.342	-1.870
C7	0.000	1.177	0.276
C8	0.000	-1.177	0.276
C9	0.000	0.000	1.221
C10	0.000	0.738	-0.986
C11	0.000	-0.738	-0.986

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7468	2.6839	2.6839	4.0678	4.0678	2.1654	2.1654	1.0879	3.0756	3.0756
H2	1.7468		2.6839	2.6839	4.0678	4.0678	2.1654	2.1654	1.0879	3.0756	3.0756
H3	2.6839	2.6839		4.3951	2.6141	4.3162	1.0707	3.3904	2.2835	2.1553	3.3365
H4	2.6839	2.6839	4.3951		4.3162	2.6141	3.3904	1.0707	2.2835	3.3365	2.1553
H5	4.0678	4.0678	2.6141	4.3162		2.6840	2.1520	3.3092	3.3696	1.0709	2.2601
H6	4.0678	4.0678	4.3162	2.6141	2.6840		3.3092	2.1520	3.3696	2.2601	1.0709
C7	2.1654	2.1654	1.0707	3.3904	2.1520	3.3092		2.3545	1.5097	1.3357	2.2933
C8	2.1654	2.1654	3.3904	1.0707	3.3092	2.1520	2.3545		1.5097	2.2933	1.3357
C9	1.0879	1.0879	2.2835	2.2835	3.3696	3.3696	1.5097	1.5097		2.3267	2.3267
C10	3.0756	3.0756	2.1553	3.3365	1.0709	2.2601	1.3357	2.2933	2.3267		1.4760
C11	3.0756	3.0756	3.3365	2.1553	2.2601	1.0709	2.2933	1.3357	2.3267	1.4760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.804	H1	C9	C7	111.916
H1	C9	C8	111.916	H2	C9	C7	111.916
H2	C9	C8	111.916	H3	C7	C9	123.601
H3	C7	C10	126.840	H4	C8	C9	123.601
H4	C8	C11	126.840	H5	C10	C7	126.465
H5	C10	C11	124.335	H6	C11	C8	126.465
H6	C11	C10	124.335	C7	C9	C8	102.481
C7	C10	C11	109.200	C8	C11	C10	109.200
C9	C7	C10	109.560	C9	C8	C11	109.560

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.189
2	H	0.189
3	H	0.192
4	H	0.192
5	H	0.198
6	H	0.198
7	C	-0.190
8	C	-0.190
9	C	-0.402
10	C	-0.188
11	C	-0.188

	x	y	z	Total
	0.000	0.000	0.403	0.403
CHELPG	-0.333	0.078	0.000	0.342
AIM
ESP

<r²>	92.737
(<r²>)^1/2	9.630

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

using model chemistry: HF/6-31G

States and conformations

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