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	hartrees
Energy at 0K	-196.570477
Energy at 298.15K	-196.580479
HF Energy	-196.570477
Nuclear repulsion energy	170.871091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3144	3034	61.59
2	A	3121	3012	16.89
3	A	3113	3004	30.06
4	A	3109	3000	33.06
5	A	3103	2995	29.25
6	A	3073	2966	7.19
7	A	3064	2957	24.84
8	A	3031	2925	35.78
9	A	3018	2913	32.96
10	A	3009	2903	31.95
11	A	1730	1669	2.45
12	A	1519	1466	3.12
13	A	1510	1457	4.30
14	A	1505	1453	2.64
15	A	1495	1442	3.46
16	A	1488	1436	0.59
17	A	1440	1389	6.14
18	A	1411	1362	0.24
19	A	1406	1357	2.89
20	A	1331	1284	9.51
21	A	1300	1254	0.18
22	A	1278	1233	0.11
23	A	1171	1130	0.39
24	A	1090	1052	3.88
25	A	1060	1023	0.80
26	A	1041	1004	0.04
27	A	1030	994	2.79
28	A	1015	979	0.72
29	A	937	904	9.67
30	A	860	830	1.45
31	A	786	758	3.28
32	A	722	697	23.85
33	A	562	542	6.02
34	A	466	450	1.04
35	A	295	285	0.03
36	A	253	244	0.01
37	A	213	206	0.00
38	A	145	140	0.30
39	A	58	56	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.193	-0.284	-0.412
H2	2.675	0.692	-0.542
H3	2.950	-0.987	-0.050
H4	1.854	-0.621	-1.397
C5	1.013	-0.190	0.571
H6	0.560	-1.179	0.697
H7	1.401	0.101	1.558
C8	-2.067	-0.676	-0.083
H9	-2.511	-0.913	-1.058
H10	-1.445	-1.522	0.219
H11	-2.899	-0.600	0.629
C12	-0.012	0.820	0.133
H13	0.371	1.835	0.026
C14	-1.303	0.616	-0.147
H15	-1.892	1.478	-0.459

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0958	1.0950	1.0947	1.5383	2.1670	2.1573	4.2904	4.7894	3.8940	5.2070	2.5254	2.8284	3.6196	4.4488
H2	1.0958		1.7709	1.7684	2.1854	3.0828	2.5257	4.9562	5.4528	4.7381	5.8402	2.7736	2.6337	3.9982	4.6346
H3	1.0950	1.7709		1.7744	2.1849	2.5113	2.4837	5.0268	5.5537	4.4355	5.9013	3.4748	3.8239	4.5464	5.4489
H4	1.0947	1.7684	1.7744		2.1830	2.5240	3.0750	4.1361	4.3882	3.7824	5.1674	2.8110	3.2025	3.6141	4.3956
C5	1.5383	2.1854	2.1849	2.1830		1.0949	1.0994	3.1857	3.9488	2.8177	3.9340	1.5038	2.1930	2.5552	3.5044
H6	2.1670	3.0828	2.5113	2.5240	1.0949		1.7562	2.7861	3.5471	2.0897	3.5082	2.1537	3.0933	2.7212	3.7958
H7	2.1573	2.5257	2.4837	3.0750	1.0994	1.7562		3.9138	4.8135	3.5389	4.4546	2.1311	2.5326	3.2378	4.0994
C8	4.2904	4.9562	5.0268	4.1361	3.1857	2.7861	3.9138		1.0975	1.0928	1.0976	2.5503	3.5013	1.5018	2.1935
H9	4.7894	5.4528	5.5537	4.3882	3.9488	3.5471	4.8135	1.0975		1.7711	1.7590	3.2656	4.1270	2.1506	2.5417
H10	3.8940	4.7381	4.4355	3.7824	2.8177	2.0897	3.5389	1.0928	1.7711		1.7704	2.7464	3.8216	2.1736	3.1082
H11	5.2070	5.8402	5.9013	5.1674	3.9340	3.5082	4.4546	1.0976	1.7590	1.7704		3.2549	4.1215	2.1512	2.5528
C12	2.5254	2.7736	3.4748	2.8110	1.5038	2.1537	2.1311	2.5503	3.2656	2.7464	3.2549		1.0907	1.3367	2.0778
H13	2.8284	2.6337	3.8239	3.2025	2.1930	3.0933	2.5326	3.5013	4.1270	3.8216	4.1215	1.0907		2.0784	2.3416
C14	3.6196	3.9982	4.5464	3.6141	2.5552	2.7212	3.2378	1.5018	2.1506	2.1736	2.1512	1.3367	2.0784		1.0897
H15	4.4488	4.6346	5.4489	4.3956	3.5044	3.7958	4.0994	2.1935	2.5417	3.1082	2.5528	2.0778	2.3416	1.0897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.613	C1	C5	H7	108.599
C1	C5	C12	112.224	H2	C1	H3	107.872
H2	C1	H4	107.664	H2	C1	C5	111.014
H3	C1	H4	108.256	H3	C1	C5	111.016
H4	C1	C5	110.882	C5	C12	H13	114.455
C5	C12	C14	128.106	H6	C5	H7	106.325
H6	C5	C12	110.968	H7	C5	C12	108.907
C8	C14	C12	127.824	C8	C14	H15	114.723
H9	C8	H10	107.921	H9	C8	H11	106.514
H9	C8	C14	110.697	H10	C8	H11	107.849
H10	C8	C14	112.855	H11	C8	C14	110.743
C12	C14	H15	117.453	H13	C12	C14	117.433

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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