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	hartrees
Energy at 0K	-195.169715
Energy at 298.15K	-195.180152
Nuclear repulsion energy	171.177337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	2993	28.13
2	A'	3272	2963	33.44
3	A'	3238	2932	18.58
4	A'	3235	2929	51.57
5	A'	3169	2870	23.71
6	A'	3155	2857	46.25
7	A'	3145	2848	46.80
8	A'	1897	1718	0.11
9	A'	1626	1473	2.14
10	A'	1612	1460	6.74
11	A'	1603	1452	0.52
12	A'	1545	1399	4.91
13	A'	1535	1390	1.79
14	A'	1498	1356	13.32
15	A'	1446	1310	0.72
16	A'	1431	1296	0.35
17	A'	1230	1114	1.25
18	A'	1146	1038	3.16
19	A'	1114	1009	2.33
20	A'	1010	914	4.68
21	A'	905	819	0.03
22	A'	618	560	0.24
23	A'	388	352	0.23
24	A'	218	198	0.30
25	A"	3237	2931	51.07
26	A"	3203	2900	37.31
27	A"	3165	2866	27.63
28	A"	1616	1463	4.40
29	A"	1599	1448	4.38
30	A"	1399	1267	0.40
31	A"	1208	1094	2.71
32	A"	1172	1061	3.57
33	A"	1117	1011	21.58
34	A"	905	820	1.19
35	A"	778	704	0.38
36	A"	322	291	1.34
37	A"	242	219	0.32
38	A"	217	197	1.57
39	A"	133	120	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	-0.755	-1.212	0.000
C2	-0.981	-0.157	0.000
H3	-0.254	1.772	0.000
C4	0.000	0.721	0.000
H5	-2.942	-0.222	0.874
H6	-2.942	-0.222	-0.874
H7	-2.595	1.265	0.000
C8	-2.443	0.191	0.000
H9	1.922	0.932	-0.866
H10	1.922	0.932	0.866
C11	1.481	0.439	0.000
H12	2.968	-1.124	0.000
H13	1.509	-1.547	0.879
H14	1.509	-1.547	-0.879
C15	1.886	-1.032	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0783	3.0255	2.0753	2.5542	2.5542	3.0852	2.1942	3.5375	3.5375	2.7796	3.7242	2.4517	2.4517	2.6476
C2	1.0783		2.0615	1.3166	2.1480	2.1480	2.1515	1.5029	3.2189	3.2189	2.5328	4.0651	2.9834	2.9834	2.9973
H3	3.0255	2.0615		1.0809	3.4590	3.4590	2.3956	2.7003	2.4875	2.4875	2.1874	4.3317	3.8589	3.8589	3.5271
C4	2.0753	1.3166	1.0809		3.2106	3.2106	2.6515	2.4997	2.1184	2.1184	1.5074	3.4945	2.8621	2.8621	2.5750
H5	2.5542	2.1480	3.4590	3.2106		1.7478	1.7592	1.0878	5.2929	4.9988	4.5564	6.0416	4.6437	4.9633	4.9728
H6	2.5542	2.1480	3.4590	3.2106	1.7478		1.7592	1.0878	4.9988	5.2929	4.5564	6.0416	4.9633	4.6437	4.9728
H7	3.0852	2.1515	2.3956	2.6515	1.7592	1.7592		1.0848	4.6112	4.6112	4.1587	6.0541	5.0517	5.0517	5.0356
C8	2.1942	1.5029	2.7003	2.4997	1.0878	1.0878	1.0848		4.5110	4.5110	3.9314	5.5680	4.4053	4.4053	4.4982
H9	3.5375	3.2189	2.4875	2.1184	5.2929	4.9988	4.6112	4.5110		1.7316	1.0896	2.4641	3.0592	2.5132	2.1470
H10	3.5375	3.2189	2.4875	2.1184	4.9988	5.2929	4.6112	4.5110	1.7316		1.0896	2.4641	2.5132	3.0592	2.1470
C11	2.7796	2.5328	2.1874	1.5074	4.5564	4.5564	4.1587	3.9314	1.0896	1.0896		2.1574	2.1717	2.1717	1.5260
H12	3.7242	4.0651	4.3317	3.4945	6.0416	6.0416	6.0541	5.5680	2.4641	2.4641	2.1574		1.7547	1.7547	1.0856
H13	2.4517	2.9834	3.8589	2.8621	4.6437	4.9633	5.0517	4.4053	3.0592	2.5132	2.1717	1.7547		1.7571	1.0858
H14	2.4517	2.9834	3.8589	2.8621	4.9633	4.6437	5.0517	4.4053	2.5132	3.0592	2.1717	1.7547	1.7571		1.0858
C15	2.6476	2.9973	3.5271	2.5750	4.9728	4.9728	5.0356	4.4982	2.1470	2.1470	1.5260	1.0856	1.0858	1.0858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.786	H1	C2	C8	115.453
C2	C4	H3	118.268	C2	C4	C11	127.371
C2	C8	H5	111.004	C2	C8	H6	111.004
C2	C8	H7	111.463	H3	C4	C11	114.361
C4	C2	C8	124.761	C4	C11	H9	108.238
C4	C11	H10	108.238	C4	C11	C15	116.181
H5	C8	H6	106.912	H5	C8	H7	108.140
H6	C8	H7	108.140	H9	C11	H10	105.234
H9	C11	C15	109.196	H10	C11	C15	109.196
C11	C15	H12	110.256	C11	C15	H13	111.391
C11	C15	H14	111.391	H12	C15	H13	107.818
H12	C15	H14	107.818	H13	C15	H14	108.018

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.128
2	C	-0.117
3	H	0.121
4	C	-0.114
5	H	0.137
6	H	0.137
7	H	0.137
8	C	-0.431
9	H	0.127
10	H	0.127
11	C	-0.238
12	H	0.133
13	H	0.136
14	H	0.136
15	C	-0.419

	x	y	z	Total
	0.080	0.019	0.000	0.082
CHELPG
AIM
ESP

	x	y	z
x	10.152	0.680	0.000
y	0.680	7.780	0.000
z	0.000	0.000	5.927

<r²>	171.768
(<r²>)^1/2	13.106

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

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

States and conformations

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