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	hartrees
Energy at 0K	-194.004693
Energy at 298.15K	-194.010934
HF Energy	-194.004693
Nuclear repulsion energy	156.753841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3108	4.90
2	A₁	3258	3085	5.90
3	A₁	3073	2910	5.84
4	A₁	1615	1530	2.89
5	A₁	1450	1373	5.82
6	A₁	1424	1349	13.70
7	A₁	1143	1082	0.08
8	A₁	1032	978	0.00
9	A₁	949	898	9.62
10	A₁	813	770	0.02
11	A₂	1141	1081	0.00
12	A₂	986	934	0.00
13	A₂	736	697	0.00
14	A₂	525	497	0.00
15	B₁	3108	2943	7.02
16	B₁	982	930	0.01
17	B₁	935	885	25.27
18	B₁	696	659	59.48
19	B₁	343	325	9.69
20	B₂	3273	3100	20.15
21	B₂	3251	3079	0.94
22	B₂	1696	1606	0.44
23	B₂	1343	1272	1.78
24	B₂	1289	1220	1.17
25	B₂	1125	1065	1.94
26	B₂	993	941	9.81
27	B₂	812	769	6.56

Atom	x (Å)	y (Å)	z (Å)
H1	0.883	0.000	1.863
H2	-0.883	0.000	1.863
H3	0.000	2.209	0.620
H4	0.000	-2.209	0.620
H5	0.000	1.340	-1.884
H6	0.000	-1.340	-1.884
C7	0.000	1.180	0.280
C8	0.000	-1.180	0.280
C9	0.000	0.000	1.210
C10	0.000	0.735	-0.985
C11	0.000	-0.735	-0.985

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7651	2.6839	2.6839	4.0762	4.0762	2.1627	2.1627	1.0976	3.0708	3.0708
H2	1.7651		2.6839	2.6839	4.0762	4.0762	2.1627	2.1627	1.0976	3.0708	3.0708
H3	2.6839	2.6839		4.4177	2.6507	4.3430	1.0830	3.4063	2.2865	2.1784	3.3532
H4	2.6839	2.6839	4.4177		4.3430	2.6507	3.4063	1.0830	2.2865	3.3532	2.1784
H5	4.0762	4.0762	2.6507	4.3430		2.6791	2.1704	3.3221	3.3722	1.0835	2.2616
H6	4.0762	4.0762	4.3430	2.6507	2.6791		3.3221	2.1704	3.3722	2.2616	1.0835
C7	2.1627	2.1627	1.0830	3.4063	2.1704	3.3221		2.3609	1.5029	1.3411	2.2959
C8	2.1627	2.1627	3.4063	1.0830	3.3221	2.1704	2.3609		1.5029	2.2959	1.3411
C9	1.0976	1.0976	2.2865	2.2865	3.3722	3.3722	1.5029	1.5029		2.3152	2.3152
C10	3.0708	3.0708	2.1784	3.3532	1.0835	2.2616	1.3411	2.2959	2.3152		1.4710
C11	3.0708	3.0708	3.3532	2.1784	2.2616	1.0835	2.2959	1.3411	2.3152	1.4710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	107.044	H1	C9	C7	111.589
H1	C9	C8	111.589	H2	C9	C7	111.589
H2	C9	C8	111.589	H3	C7	C9	123.493
H3	C7	C10	127.649	H4	C8	C9	123.493
H4	C8	C11	127.649	H5	C10	C7	126.738
H5	C10	C11	123.883	H6	C11	C8	126.738
H6	C11	C10	123.883	C7	C9	C8	103.528
C7	C10	C11	109.379	C8	C11	C10	109.379
C9	C7	C10	108.858	C9	C8	C11	108.858

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

using model chemistry: M06-2X/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	0.161
4	H	0.161
5	H	0.160
6	H	0.160
7	C	-0.169
8	C	-0.169
9	C	-0.386
10	C	-0.148
11	C	-0.148

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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