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	hartrees
Energy at 0K	-193.164746
Energy at 298.15K	-193.170947
HF Energy	-192.714890
Nuclear repulsion energy	154.663835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3097	4.71
2	A₁	3228	3067	12.72
3	A₁	3057	2904	8.10
4	A₁	1549	1472	0.00
5	A₁	1506	1431	13.54
6	A₁	1419	1348	5.46
7	A₁	1165	1107	0.20
8	A₁	1016	965	0.00
9	A₁	928	882	8.38
10	A₁	832	791	0.00
11	A₂	1147	1090	0.00
12	A₂	853	810	0.00
13	A₂	697	662	0.00
14	A₂	509	483	0.00
15	B₁	3098	2944	12.54
16	B₁	982	933	14.50
17	B₁	897	852	0.32
18	B₁	670	636	90.86
19	B₁	354	336	7.98
20	B₂	3248	3086	31.64
21	B₂	3219	3058	1.68
22	B₂	1612	1531	0.38
23	B₂	1352	1285	0.42
24	B₂	1288	1224	4.21
25	B₂	1154	1096	0.91
26	B₂	991	941	8.00
27	B₂	832	790	2.65

Atom	x (Å)	y (Å)	z (Å)
H1	0.886	0.000	1.895
H2	-0.886	0.000	1.895
H3	0.000	2.230	0.615
H4	0.000	-2.230	0.615
H5	0.000	1.362	-1.902
H6	0.000	-1.362	-1.902
C7	0.000	1.194	0.286
C8	0.000	-1.194	0.286
C9	0.000	0.000	1.238
C10	0.000	0.744	-1.006
C11	0.000	-0.744	-1.006

	H1	H2	H3	H4	H5	H6	C7	C8	C9	C10	C11
H1		1.7721	2.7194	2.7194	4.1297	4.1297	2.1907	2.1907	1.1029	3.1234	3.1234
H2	1.7721		2.7194	2.7194	4.1297	4.1297	2.1907	2.1907	1.1029	3.1234	3.1234
H3	2.7194	2.7194		4.4594	2.6619	4.3857	1.0872	3.4390	2.3152	2.1990	3.3870
H4	2.7194	2.7194	4.4594		4.3857	2.6619	3.4390	1.0872	2.3152	3.3870	2.1990
H5	4.1297	4.1297	2.6619	4.3857		2.7243	2.1938	3.3639	3.4226	1.0880	2.2886
H6	4.1297	4.1297	4.3857	2.6619	2.7243		3.3639	2.1938	3.4226	2.2886	1.0880
C7	2.1907	2.1907	1.0872	3.4390	2.1938	3.3639		2.3870	1.5270	1.3679	2.3288
C8	2.1907	2.1907	3.4390	1.0872	3.3639	2.1938	2.3870		1.5270	2.3288	1.3679
C9	1.1029	1.1029	2.3152	2.3152	3.4226	3.4226	1.5270	1.5270		2.3646	2.3646
C10	3.1234	3.1234	2.1990	3.3870	1.0880	2.2886	1.3679	2.3288	2.3646		1.4881
C11	3.1234	3.1234	3.3870	2.1990	2.2886	1.0880	2.3288	1.3679	2.3646	1.4881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H2	106.907	H1	C9	C7	111.804
H1	C9	C8	111.804	H2	C9	C7	111.804
H2	C9	C8	111.804	H3	C7	C9	123.783
H3	C7	C10	126.808	H4	C8	C9	123.783
H4	C8	C11	126.808	H5	C10	C7	126.199
H5	C10	C11	124.619	H6	C11	C8	126.199
H6	C11	C10	124.619	C7	C9	C8	102.818
C7	C10	C11	109.182	C8	C11	C10	109.182
C9	C7	C10	109.409	C9	C8	C11	109.409

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H6 (1,3-Cyclopentadiene)

using model chemistry: MP2=FULL/6-31G

States and conformations

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