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	hartrees
Energy at 0K	-193.710969
Energy at 298.15K	-193.705859
HF Energy	-192.788805
Nuclear repulsion energy	157.158922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3403	5.15
2	A'	3394	3394	38.05
3	A'	3375	3375	17.33
4	A'	3365	3365	2.04
5	A'	3182	3182	25.05
6	A'	1814	1814	0.35
7	A'	1740	1740	1.76
8	A'	1573	1573	2.85
9	A'	1522	1522	10.64
10	A'	1445	1445	1.30
11	A'	1399	1399	1.10
12	A'	1223	1223	0.14
13	A'	1207	1207	1.10
14	A'	1065	1065	0.33
15	A'	1034	1034	11.68
16	A'	981	981	7.46
17	A'	864	864	7.15
18	A'	864	864	0.01
19	A"	3212	3212	23.99
20	A"	1247	1247	0.00
21	A"	1070	1070	2.05
22	A"	1061	1061	0.00
23	A"	1029	1029	28.47
24	A"	802	802	0.00
25	A"	746	746	68.07
26	A"	555	555	0.00
27	A"	378	378	5.43

Atom	x (Å)	y (Å)	z (Å)
H1	-1.821	0.424	0.875
H2	-1.821	0.424	-0.875
C3	-1.186	0.276	0.000
H4	-1.082	-2.009	0.000
C5	-0.534	-1.083	0.000
H6	-0.083	2.281	0.000
C7	0.000	1.208	0.000
H8	2.128	0.889	0.000
C9	1.125	0.497	0.000
H10	1.516	-1.738	0.000
C11	0.789	-0.943	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	C11
H1		1.7508	1.0914	2.6895	2.1670	2.6895	2.1670	4.0711	3.0737	4.0711	3.0737
H2	1.7508		1.0914	2.6895	2.1670	2.6895	2.1670	4.0711	3.0737	4.0711	3.0737
C3	1.0914	1.0914		2.2879	1.5081	2.2879	1.5081	3.3699	2.3212	3.3699	2.3212
H4	2.6895	2.6895	2.2879		1.0761	4.4049	3.3943	4.3247	3.3398	2.6124	2.1537
C5	2.1670	2.1670	1.5081	1.0761		3.3943	2.3527	3.3126	2.2912	2.1515	1.3302
H6	2.6895	2.6895	2.2879	4.4049	3.3943		1.0761	2.6124	2.1537	4.3247	3.3398
C7	2.1670	2.1670	1.5081	3.3943	2.3527	1.0761		2.1515	1.3302	3.3126	2.2912
H8	4.0711	4.0711	3.3699	4.3247	3.3126	2.6124	2.1515		1.0767	2.6967	2.2690
C9	3.0737	3.0737	2.3212	3.3398	2.2912	2.1537	1.3302	1.0767		2.2690	1.4792
H10	4.0711	4.0711	3.3699	2.6124	2.1515	4.3247	3.3126	2.6967	2.2690		1.0767
C11	3.0737	3.0737	2.3212	2.1537	1.3302	3.3398	2.2912	2.2690	1.4792	1.0767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	33.093	H1	C9	C7	37.112
H1	C9	C8	154.344	H2	C9	C7	37.112
H2	C9	C8	154.344	H3	C7	C9	109.571
H3	C7	C10	79.085	H4	C8	C9	20.762
H4	C8	C11	11.767	H5	C10	C7	45.068
H5	C10	C11	29.841	H6	C11	C8	51.291
H6	C11	C10	152.675	C7	C9	C8	126.406
C7	C10	C11	15.226	C8	C11	C10	101.384
C9	C7	C10	30.487	C9	C8	C11	32.530

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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