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	hartrees
Energy at 0K	-195.954305
Energy at 298.15K	-195.964296
HF Energy	-195.175926
Nuclear repulsion energy	171.694248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3027	53.35
2	A	3183	3015	7.48
3	A	3174	3006	42.08
4	A	3167	2999	29.45
5	A	3162	2995	4.06
6	A	3143	2977	12.78
7	A	3142	2976	8.28
8	A	3084	2921	24.58
9	A	3077	2914	27.62
10	A	3076	2913	25.53
11	A	1730	1639	1.73
12	A	1548	1466	13.95
13	A	1538	1457	6.01
14	A	1537	1456	4.52
15	A	1525	1444	7.98
16	A	1524	1443	4.45
17	A	1463	1386	8.53
18	A	1443	1367	5.67
19	A	1434	1359	2.20
20	A	1360	1288	2.13
21	A	1323	1253	0.24
22	A	1301	1232	0.11
23	A	1187	1124	0.54
24	A	1113	1055	5.00
25	A	1077	1021	1.43
26	A	1071	1014	0.04
27	A	1062	1006	1.92
28	A	975	923	0.78
29	A	959	909	9.39
30	A	882	835	1.01
31	A	804	761	2.84
32	A	726	688	43.88
33	A	565	535	5.73
34	A	478	452	1.91
35	A	313	296	0.06
36	A	257	243	0.02
37	A	226	214	0.02
38	A	105	99	0.28
39	A	40	38	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	2.095	-0.387	-0.431
H2	2.570	0.525	-0.804
H3	2.878	-1.030	-0.021
H4	1.641	-0.899	-1.282
C5	1.034	-0.057	0.624
H6	0.581	-0.980	0.993
H7	1.519	0.415	1.487
C8	-1.999	-0.717	-0.023
H9	-2.423	-1.056	-0.973
H10	-1.343	-1.504	0.349
H11	-2.834	-0.614	0.677
C12	-0.009	0.876	0.084
H13	0.337	1.889	-0.124
C14	-1.292	0.594	-0.202
H15	-1.900	1.400	-0.610

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0931	1.0932	1.0923	1.5321	2.1613	2.1566	4.1277	4.5999	3.6986	5.0570	2.5075	2.8922	3.5331	4.3805
H2	1.0931		1.7678	1.7653	2.1763	3.0737	2.5223	4.7986	5.2401	4.5559	5.7173	2.7501	2.7038	3.9085	4.5592
H3	1.0932	1.7678		1.7718	2.1819	2.5108	2.4911	4.8871	5.3864	4.2639	5.7693	3.4612	3.8715	4.4783	5.3931
H4	1.0923	1.7653	1.7718		2.1707	2.5113	3.0672	3.8561	4.0793	3.4547	4.8934	2.7820	3.2887	3.4634	4.2754
C5	1.5321	2.1763	2.1819	2.1707		1.0923	1.0962	3.1714	3.9379	2.7968	3.9085	1.5010	2.1988	2.5530	3.5016
H6	2.1613	3.0737	2.5108	2.5113	1.0923		1.7526	2.7859	3.5917	2.0960	3.4493	2.1499	3.0889	2.7230	3.7942
H7	2.1566	2.5223	2.4911	3.0672	1.0962	1.7526		3.9928	4.8745	3.6294	4.5459	2.1254	2.4826	3.2841	4.1305
C8	4.1277	4.7986	4.8871	3.8561	3.1714	2.7859	3.9928		1.0941	1.0898	1.0944	2.5513	3.5016	1.5006	2.1995
H9	4.5999	5.2401	5.3864	4.0793	3.9379	3.5917	4.8745	1.0941		1.7650	1.7570	3.2678	4.1252	2.1444	2.5376
H10	3.6986	4.5559	4.2639	3.4547	2.7968	2.0960	3.6294	1.0898	1.7650		1.7667	2.7412	3.8158	2.1697	3.1087
H11	5.0570	5.7173	5.7693	4.8934	3.9085	3.4493	4.5459	1.0944	1.7570	1.7667		3.2480	4.1183	2.1472	2.5660
C12	2.5075	2.7501	3.4612	2.7820	1.5010	2.1499	2.1254	2.5513	3.2678	2.7412	3.2480		1.0906	1.3437	2.0814
H13	2.8922	2.7038	3.8715	3.2887	2.1988	3.0889	2.4826	3.5016	4.1252	3.8158	4.1183	1.0906		2.0823	2.3412
C14	3.5331	3.9085	4.4783	3.4634	2.5530	2.7230	3.2841	1.5006	2.1444	2.1697	2.1472	1.3437	2.0823		1.0895
H15	4.3805	4.5592	5.3931	4.2754	3.5016	3.7942	4.1305	2.1995	2.5376	3.1087	2.5660	2.0814	2.3412	1.0895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.740	C1	C5	H7	109.153
C1	C5	C12	111.522	H2	C1	H3	107.917
H2	C1	H4	107.762	H2	C1	C5	110.890
H3	C1	H4	108.328	H3	C1	C5	111.328
H4	C1	C5	110.488	C5	C12	H13	115.172
C5	C12	C14	127.569	H6	C5	H7	106.415
H6	C5	C12	111.015	H7	C5	C12	108.843
C8	C14	C12	127.447	C8	C14	H15	115.325
H9	C8	H10	107.842	H9	C8	H11	106.796
H9	C8	C14	110.486	H10	C8	H11	107.972
H10	C8	C14	112.812	H11	C8	C14	110.695
C12	C14	H15	117.228	H13	C12	C14	117.232

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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