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	hartrees
Energy at 0K	-193.512342
Energy at 298.15K	-193.518571
HF Energy	-192.806672
Nuclear repulsion energy	155.361788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3127	3.61
2	A₁	3242	3101	8.02
3	A₁	3066	2933	12.29
4	A₁	1609	1539	1.83
5	A₁	1434	1372	1.86
6	A₁	1414	1353	14.03
7	A₁	1131	1082	0.08
8	A₁	1023	979	0.05
9	A₁	940	900	8.68
10	A₁	808	773	0.00
11	A₂	1137	1088	0.00
12	A₂	939	899	0.00
13	A₂	722	691	0.00
14	A₂	509	487	0.00
15	B₁	3110	2975	10.74
16	B₁	953	912	0.80
17	B₁	933	892	23.00
18	B₁	683	653	61.11
19	B₁	341	326	6.13
20	B₂	3259	3118	21.95
21	B₂	3233	3093	1.22
22	B₂	1675	1603	0.03
23	B₂	1339	1281	1.32
24	B₂	1284	1229	0.48
25	B₂	1113	1065	1.22
26	B₂	987	944	7.45
27	B₂	814	778	3.83

Atom	x (Å)	y (Å)	z (Å)
H1	0.889	0.000	1.889
H2	-0.889	0.000	1.889
H3	0.000	2.229	0.613
H4	0.000	-2.229	0.613
H5	0.000	1.365	-1.898
H6	0.000	-1.365	-1.898
C7	0.000	1.185	0.284
C8	0.000	-1.185	0.284
C9	0.000	0.000	1.227
C10	0.000	0.742	-0.999
C11	0.000	-0.742	-0.999

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7778	2.7175	2.7175	4.1226	4.1226	2.1840	2.1840	1.1080	3.1111	3.1111
H2	1.7778		2.7175	2.7175	4.1226	4.1226	2.1840	2.1840	1.1080	3.1111	3.1111
H3	2.7175	2.7175		4.4570	2.6554	4.3838	1.0936	3.4297	2.3117	2.1921	3.3797
H4	2.7175	2.7175	4.4570		4.3838	2.6554	3.4297	1.0936	2.3117	3.3797	2.1921
H5	4.1226	4.1226	2.6554	4.3838		2.7297	2.1900	3.3568	3.4107	1.0941	2.2912
H6	4.1226	4.1226	4.3838	2.6554	2.7297		3.3568	2.1900	3.4107	2.2912	1.0941
C7	2.1840	2.1840	1.0936	3.4297	2.1900	3.3568		2.3708	1.5148	1.3573	2.3156
C8	2.1840	2.1840	3.4297	1.0936	3.3568	2.1900	2.3708		1.5148	2.3156	1.3573
C9	1.1080	1.1080	2.3117	2.3117	3.4107	3.4107	1.5148	1.5148		2.3465	2.3465
C10	3.1111	3.1111	2.1921	3.3797	1.0941	2.2912	1.3573	2.3156	2.3465		1.4846
C11	3.1111	3.1111	3.3797	2.1921	2.2912	1.0941	2.3156	1.3573	2.3465	1.4846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.688	H1	C9	C7	111.818
H1	C9	C8	111.818	H2	C9	C7	111.818
H2	C9	C8	111.818	H3	C7	C9	124.021
H3	C7	C10	126.530	H4	C8	C9	124.021
H4	C8	C11	126.530	H5	C10	C7	126.265
H5	C10	C11	124.681	H6	C11	C8	126.265
H6	C11	C10	124.681	C7	C9	C8	102.995
C7	C10	C11	109.053	C8	C11	C10	109.053
C9	C7	C10	109.449	C9	C8	C11	109.449

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

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

States and conformations

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