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	hartrees
Energy at 0K	-193.526280
Energy at 298.15K	-193.532491
HF Energy	-192.807654
Nuclear repulsion energy	156.194227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3119	3.96
2	A₁	3275	3096	11.24
3	A₁	3091	2922	14.02
4	A₁	1605	1517	1.75
5	A₁	1481	1400	7.19
6	A₁	1441	1363	8.47
7	A₁	1156	1093	0.12
8	A₁	1030	974	0.19
9	A₁	947	896	8.03
10	A₁	816	772	0.00
11	A₂	1142	1080	0.00
12	A₂	905	856	0.00
13	A₂	711	672	0.00
14	A₂	499	472	0.00
15	B₁	3129	2958	10.53
16	B₁	955	903	28.22
17	B₁	934	883	3.63
18	B₁	678	641	94.38
19	B₁	338	320	4.95
20	B₂	3292	3112	25.86
21	B₂	3266	3088	1.36
22	B₂	1672	1581	0.18
23	B₂	1358	1284	1.30
24	B₂	1317	1245	1.09
25	B₂	1141	1078	1.12
26	B₂	996	941	10.33
27	B₂	820	776	4.74

Atom	x (Å)	y (Å)	z (Å)
H1	0.880	0.000	1.877
H2	-0.880	0.000	1.877
H3	0.000	2.212	0.608
H4	0.000	-2.212	0.608
H5	0.000	1.353	-1.885
H6	0.000	-1.353	-1.885
C7	0.000	1.181	0.283
C8	0.000	-1.181	0.283
C9	0.000	0.000	1.223
C10	0.000	0.738	-0.995
C11	0.000	-0.738	-0.995

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7592	2.6969	2.6969	4.0927	4.0927	2.1695	2.1695	1.0956	3.0927	3.0927
H2	1.7592		2.6969	2.6969	4.0927	4.0927	2.1695	2.1695	1.0956	3.0927	3.0927
H3	2.6969	2.6969		4.4231	2.6368	4.3496	1.0807	3.4080	2.2955	2.1774	3.3574
H4	2.6969	2.6969	4.4231		4.3496	2.6368	3.4080	1.0807	2.2955	3.3574	2.1774
H5	4.0927	4.0927	2.6368	4.3496		2.7054	2.1747	3.3345	3.3896	1.0812	2.2724
H6	4.0927	4.0927	4.3496	2.6368	2.7054		3.3345	2.1747	3.3896	2.2724	1.0812
C7	2.1695	2.1695	1.0807	3.4080	2.1747	3.3345		2.3618	1.5094	1.3527	2.3059
C8	2.1695	2.1695	3.4080	1.0807	3.3345	2.1747	2.3618		1.5094	2.3059	1.3527
C9	1.0956	1.0956	2.2955	2.2955	3.3896	3.3896	1.5094	1.5094		2.3379	2.3379
C10	3.0927	3.0927	2.1774	3.3574	1.0812	2.2724	1.3527	2.3059	2.3379		1.4767
C11	3.0927	3.0927	3.3574	2.1774	2.2724	1.0812	2.3059	1.3527	2.3379	1.4767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.801	H1	C9	C7	111.798
H1	C9	C8	111.798	H2	C9	C7	111.798
H2	C9	C8	111.798	H3	C7	C9	123.971
H3	C7	C10	126.605	H4	C8	C9	123.971
H4	C8	C11	126.605	H5	C10	C7	126.274
H5	C10	C11	124.628	H6	C11	C8	126.274
H6	C11	C10	124.628	C7	C9	C8	102.955
C7	C10	C11	109.098	C8	C11	C10	109.098
C9	C7	C10	109.424	C9	C8	C11	109.424

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

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

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/6-31+G**

States and conformations

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