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	hartrees
Energy at 0K	-195.514244
Energy at 298.15K	-195.524118
HF Energy	-195.079695
Nuclear repulsion energy	168.834315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3044	86.68
2	A	3134	3019	16.27
3	A	3126	3011	72.45
4	A	3120	3005	35.31
5	A	3118	3003	16.33
6	A	3097	2983	33.45
7	A	3094	2980	7.02
8	A	3039	2927	35.68
9	A	3016	2905	33.14
10	A	3015	2904	43.04
11	A	1676	1614	2.61
12	A	1545	1488	14.01
13	A	1539	1483	1.75
14	A	1536	1479	7.67
15	A	1527	1471	7.39
16	A	1525	1469	3.55
17	A	1464	1410	8.83
18	A	1453	1399	5.35
19	A	1437	1384	1.07
20	A	1381	1330	1.41
21	A	1321	1272	0.60
22	A	1304	1255	0.12
23	A	1196	1151	0.87
24	A	1112	1071	6.81
25	A	1093	1052	0.73
26	A	1073	1033	0.22
27	A	1036	998	2.68
28	A	947	912	3.36
29	A	936	901	6.67
30	A	856	825	1.21
31	A	805	775	4.01
32	A	721	695	52.07
33	A	562	542	4.91
34	A	471	454	2.69
35	A	307	296	0.10
36	A	255	246	0.05
37	A	211	204	0.03
38	A	105	101	0.44
39	A	21	20	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	2.101	-0.446	-0.435
H2	2.573	0.431	-0.916
H3	2.897	-1.066	0.016
H4	1.596	-1.036	-1.221
C5	1.061	0.012	0.647
H6	0.603	-0.878	1.114
H7	1.591	0.563	1.448
C8	-2.002	-0.757	0.008
H9	-2.410	-1.152	-0.941
H10	-1.306	-1.507	0.418
H11	-2.848	-0.650	0.713
C12	-0.017	0.925	0.050
H13	0.314	1.944	-0.201
C14	-1.320	0.596	-0.228
H15	-1.957	1.372	-0.675

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.1055	1.1056	1.1051	1.5692	2.1984	2.1964	4.1389	4.5940	3.6695	5.0847	2.5688	2.9932	3.5820	4.4533
H2	1.1055		1.7935	1.7886	2.2145	3.1172	2.5633	4.8162	5.2283	4.5369	5.7627	2.8076	2.8112	3.9566	4.6332
H3	1.1056	1.7935		1.7956	2.2206	2.5502	2.5317	4.9087	5.3931	4.2451	5.8019	3.5292	3.9726	4.5390	5.4759
H4	1.1051	1.7886	1.7956		2.2078	2.5430	3.1115	3.8126	4.0175	3.3662	4.8621	2.8392	3.4007	3.4860	4.3271
C5	1.5692	2.2145	2.2206	2.2078		1.1047	1.1073	3.2223	3.9907	2.8224	3.9653	1.5334	2.2381	2.6028	3.5645
H6	2.1984	3.1172	2.5502	2.5430	1.1047		1.7786	2.8329	3.6578	2.1277	3.4817	2.1834	3.1267	2.7695	3.8492
H7	2.1964	2.5633	2.5317	3.1115	1.1073	1.7786		4.0900	4.9658	3.7072	4.6603	2.1614	2.5016	3.3592	4.2132
C8	4.1389	4.8162	4.9087	3.8126	3.2223	2.8329	4.0900		1.1062	1.1023	1.1062	2.6024	3.5641	1.5332	2.2361
H9	4.5940	5.2283	5.3931	4.0175	3.9907	3.6578	4.9658	1.1062		1.7864	1.7833	3.3202	4.1896	2.1798	2.5781
H10	3.6695	4.5369	4.2451	3.3662	2.8224	2.1277	3.7072	1.1023	1.7864		1.7886	2.7774	3.8626	2.1999	3.1475
H11	5.0847	5.7627	5.8019	4.8621	3.9653	3.4817	4.6603	1.1062	1.7833	1.7886		3.3071	4.1908	2.1844	2.6089
C12	2.5688	2.8076	3.5292	2.8392	1.5334	2.1834	2.1614	2.6024	3.3202	2.7774	3.3071		1.1004	1.3725	2.1190
H13	2.9932	2.8112	3.9726	3.4007	2.2381	3.1267	2.5016	3.5641	4.1896	3.8626	4.1908	1.1004		2.1186	2.3896
C14	3.5820	3.9566	4.5390	3.4860	2.6028	2.7695	3.3592	1.5332	2.1798	2.1999	2.1844	1.3725	2.1186		1.0993
H15	4.4533	4.6332	5.4759	4.3271	3.5645	3.8492	4.2132	2.2361	2.5781	3.1475	2.6089	2.1190	2.3896	1.0993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.373	C1	C5	H7	109.070
C1	C5	C12	111.774	H2	C1	H3	108.413
H2	C1	H4	108.015	H2	C1	C5	110.575
H3	C1	H4	108.624	H3	C1	C5	111.048
H4	C1	C5	110.082	C5	C12	H13	115.393
C5	C12	C14	127.110	H6	C5	H7	107.036
H6	C5	C12	110.663	H7	C5	C12	108.794
C8	C14	C12	127.088	C8	C14	H15	115.308
H9	C8	H10	107.966	H9	C8	H11	107.425
H9	C8	C14	110.309	H10	C8	H11	108.166
H10	C8	C14	112.137	H11	C8	C14	110.674
C12	C14	H15	117.602	H13	C12	C14	117.477

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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