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	hartrees
Energy at 0K	-195.905276
Energy at 298.15K	-195.915296
HF Energy	-195.161405
Nuclear repulsion energy	171.693401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3044	53.85
2	A	3229	3032	5.45
3	A	3217	3021	41.22
4	A	3212	3016	31.87
5	A	3207	3012	3.48
6	A	3189	2995	15.69
7	A	3183	2990	4.51
8	A	3117	2927	22.63
9	A	3115	2926	31.82
10	A	3114	2924	29.74
11	A	1740	1634	3.87
12	A	1550	1456	9.26
13	A	1545	1451	5.45
14	A	1543	1449	4.33
15	A	1528	1435	3.74
16	A	1526	1433	3.66
17	A	1474	1385	7.15
18	A	1452	1363	2.92
19	A	1444	1356	1.66
20	A	1368	1285	4.83
21	A	1327	1246	0.11
22	A	1305	1226	0.14
23	A	1195	1123	0.31
24	A	1121	1053	4.68
25	A	1082	1016	3.10
26	A	1076	1010	0.07
27	A	1067	1002	2.18
28	A	992	932	0.27
29	A	965	906	8.17
30	A	888	834	0.73
31	A	808	759	3.51
32	A	729	685	42.19
33	A	568	534	4.73
34	A	470	442	1.44
35	A	313	294	0.07
36	A	257	242	0.02
37	A	229	215	0.02
38	A	106	100	0.47
39	A	46	43	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	2.142	-0.326	-0.424
H2	2.625	0.624	-0.649
H3	2.903	-1.011	-0.051
H4	1.745	-0.729	-1.355
C5	1.020	-0.136	0.598
H6	0.561	-1.098	0.822
H7	1.449	0.230	1.534
C8	-2.032	-0.694	-0.059
H9	-2.465	-0.973	-1.020
H10	-1.390	-1.508	0.268
H11	-2.857	-0.610	0.650
C12	-0.006	0.845	0.116
H13	0.359	1.857	-0.034
C14	-1.298	0.607	-0.172
H15	-1.889	1.446	-0.526

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0896	1.0895	1.0891	1.5297	2.1556	2.1504	4.2061	4.6899	3.7881	5.1206	2.5052	2.8462	3.5733	4.4045
H2	1.0896		1.7634	1.7610	2.1701	3.0641	2.5112	4.8756	5.3469	4.6372	5.7668	2.7482	2.6521	3.9515	4.5894
H3	1.0895	1.7634		1.7664	2.1757	2.5009	2.4835	4.9453	5.4547	4.3335	5.8160	3.4544	3.8343	4.5036	5.4061
H4	1.0891	1.7610	1.7664		2.1659	2.5054	3.0584	3.9936	4.2303	3.6154	5.0211	2.7759	3.2177	3.5278	4.3155
C5	1.5297	2.1701	2.1757	2.1659		1.0890	1.0930	3.1712	3.9319	2.7923	3.9056	1.4987	2.1932	2.5529	3.4966
H6	2.1556	3.0641	2.5009	2.5054	1.0890		1.7490	2.7682	3.5447	2.0692	3.4567	2.1435	3.0835	2.7116	3.7803
H7	2.1504	2.5112	2.4835	3.0584	1.0930	1.7490		3.9381	4.8258	3.5611	4.4749	2.1226	2.5095	3.2556	4.1067
C8	4.2061	4.8756	4.9453	3.9936	3.1712	2.7682	3.9381		1.0904	1.0865	1.0906	2.5507	3.4966	1.4987	2.1951
H9	4.6899	5.3469	5.4547	4.2303	3.9319	3.5447	4.8258	1.0904		1.7608	1.7535	3.2623	4.1173	2.1396	2.5348
H10	3.7881	4.6372	4.3335	3.6154	2.7923	2.0692	3.5611	1.0865	1.7608		1.7613	2.7339	3.8041	2.1623	3.0986
H11	5.1206	5.7668	5.8160	5.0211	3.9056	3.4567	4.4749	1.0906	1.7535	1.7613		3.2450	4.1101	2.1419	2.5584
C12	2.5052	2.7482	3.4544	2.7759	1.4987	2.1435	2.1226	2.5507	3.2623	2.7339	3.2450		1.0863	1.3451	2.0785
H13	2.8462	2.6521	3.8343	3.2177	2.1932	3.0835	2.5095	3.4966	4.1173	3.8041	4.1101	1.0863		2.0797	2.3372
C14	3.5733	3.9515	4.5036	3.5278	2.5529	2.7116	3.2556	1.4987	2.1396	2.1623	2.1419	1.3451	2.0797		1.0851
H15	4.4045	4.5894	5.4061	4.3155	3.4966	3.7803	4.1067	2.1951	2.5348	3.0986	2.5584	2.0785	2.3372	1.0851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.661	C1	C5	H7	109.015
C1	C5	C12	111.629	H2	C1	H3	108.039
H2	C1	H4	107.859	H2	C1	C5	110.773
H3	C1	H4	108.354	H3	C1	C5	111.228
H4	C1	C5	110.472	C5	C12	H13	115.159
C5	C12	C14	127.634	H6	C5	H7	106.555
H6	C5	C12	110.868	H7	C5	C12	108.962
C8	C14	C12	127.426	C8	C14	H15	115.393
H9	C8	H10	107.971	H9	C8	H11	107.022
H9	C8	C14	110.460	H10	C8	H11	108.000
H10	C8	C14	112.548	H11	C8	C14	110.632
C12	C14	H15	117.181	H13	C12	C14	117.192

All results from a given calculation for C₅H₁₀ (2-Pentene, (Z)-)

using model chemistry: MP2=FULL/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H10 (2-Pentene, (Z)-)

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

States and conformations

All results from a given calculation for C₅H₁₀ (2-Pentene, (Z)-)