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	hartrees
Energy at 0K	-196.478839
Energy at 298.15K	-196.488863
Nuclear repulsion energy	171.004529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3165	3033	58.81
2	A	3148	3017	10.37
3	A	3138	3008	36.65
4	A	3136	3005	18.45
5	A	3130	2999	23.43
6	A	3099	2970	7.65
7	A	3096	2967	21.41
8	A	3051	2924	33.08
9	A	3041	2914	29.04
10	A	3032	2906	29.98
11	A	1756	1683	2.29
12	A	1515	1452	5.66
13	A	1506	1444	6.39
14	A	1501	1439	4.16
15	A	1490	1428	5.74
16	A	1486	1424	0.69
17	A	1444	1384	7.77
18	A	1415	1356	1.31
19	A	1409	1350	1.81
20	A	1335	1280	6.68
21	A	1304	1250	0.25
22	A	1280	1227	0.30
23	A	1173	1125	0.69
24	A	1095	1049	3.65
25	A	1061	1017	0.44
26	A	1051	1007	0.15
27	A	1045	1002	3.39
28	A	1011	969	0.29
29	A	948	909	12.13
30	A	874	837	1.94
31	A	794	761	3.65
32	A	722	692	30.52
33	A	571	547	7.19
34	A	471	451	1.38
35	A	302	289	0.03
36	A	258	247	0.02
37	A	218	209	0.01
38	A	143	137	0.38
39	A	56	54	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.198	-0.277	-0.407
H2	2.683	0.699	-0.518
H3	2.953	-0.986	-0.053
H4	1.870	-0.597	-1.401
C5	1.013	-0.198	0.562
H6	0.562	-1.189	0.673
H7	1.390	0.078	1.558
C8	-2.072	-0.670	-0.086
H9	-2.530	-0.893	-1.058
H10	-1.453	-1.525	0.196
H11	-2.895	-0.602	0.637
C12	-0.011	0.813	0.135
H13	0.371	1.831	0.034
C14	-1.304	0.615	-0.142
H15	-1.888	1.485	-0.444

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0956	1.0949	1.0945	1.5329	2.1625	2.1541	4.3000	4.8115	3.9055	5.2090	2.5218	2.8239	3.6235	4.4496
H2	1.0956		1.7687	1.7666	2.1822	3.0800	2.5237	4.9676	5.4774	4.7508	5.8435	2.7745	2.6333	4.0063	4.6391
H3	1.0949	1.7687		1.7724	2.1824	2.5072	2.4840	5.0351	5.5745	4.4460	5.9013	3.4722	3.8224	4.5492	5.4492
H4	1.0945	1.7666	1.7724		2.1792	2.5230	3.0729	4.1564	4.4228	3.8023	5.1827	2.8081	3.1938	3.6234	4.4013
C5	1.5329	2.1822	2.1824	2.1792		1.0949	1.0997	3.1878	3.9571	2.8247	3.9298	1.5012	2.1929	2.5549	3.5018
H6	2.1625	3.0800	2.5072	2.5230	1.0949		1.7534	2.7898	3.5553	2.0979	3.5069	2.1514	3.0932	2.7208	3.7952
H7	2.1541	2.5237	2.4840	3.0729	1.0997	1.7534		3.9048	4.8112	3.5367	4.4355	2.1278	2.5370	3.2308	4.0909
C8	4.3000	4.9676	5.0351	4.1564	3.1878	2.7898	3.9048		1.0972	1.0925	1.0973	2.5494	3.4983	1.4982	2.1928
H9	4.8115	5.4774	5.5745	4.4228	3.9571	3.5553	4.8112	1.0972		1.7691	1.7578	3.2681	4.1261	2.1482	2.5387
H10	3.9055	4.7508	4.4460	3.8023	2.8247	2.0979	3.5367	1.0925	1.7691		1.7683	2.7485	3.8233	2.1719	3.1083
H11	5.2090	5.8435	5.9013	5.1827	3.9298	3.5069	4.4355	1.0973	1.7578	1.7683		3.2518	4.1167	2.1489	2.5569
C12	2.5218	2.7745	3.4722	2.8081	1.5012	2.1514	2.1278	2.5494	3.2681	2.7485	3.2518		1.0914	1.3378	2.0764
H13	2.8239	2.6333	3.8224	3.1938	2.1929	3.0932	2.5370	3.4983	4.1261	3.8233	4.1167	1.0914		2.0773	2.3345
C14	3.6235	4.0063	4.5492	3.6234	2.5549	2.7208	3.2308	1.4982	2.1482	2.1719	2.1489	1.3378	2.0773		1.0905
H15	4.4496	4.6391	5.4492	4.4013	3.5018	3.7952	4.0909	2.1928	2.5387	3.1083	2.5569	2.0764	2.3345	1.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.631	C1	C5	H7	108.705
C1	C5	C12	112.437	H2	C1	H3	107.699
H2	C1	H4	107.532	H2	C1	C5	111.153
H3	C1	H4	108.106	H3	C1	C5	111.213
H4	C1	C5	110.978	C5	C12	H13	114.596
C5	C12	C14	128.210	H6	C5	H7	106.062
H6	C5	C12	110.961	H7	C5	C12	108.814
C8	C14	C12	127.953	C8	C14	H15	114.873
H9	C8	H10	107.791	H9	C8	H11	106.455
H9	C8	C14	110.778	H10	C8	H11	107.706
H10	C8	C14	113.003	H11	C8	C14	110.823
C12	C14	H15	117.174	H13	C12	C14	117.190

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

using model chemistry: B3PW91/6-31G**

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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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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Number	Element	Mulliken
1	C	-0.386
2	H	0.128
3	H	0.126
4	H	0.136
5	C	-0.275
6	H	0.123
7	H	0.134
8	C	-0.424
9	H	0.139
10	H	0.131
11	H	0.140
12	C	-0.083
13	H	0.105
14	C	-0.104
15	H	0.109

	x	y	z	Total
	-0.023	-0.210	0.035	0.214
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.555
(<r²>)^1/2	12.867

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

using model chemistry: B3PW91/6-31G**

States and conformations

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