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	hartrees
Energy at 0K	-33.907833
Energy at 298.15K	-33.917860
HF Energy	-33.251768
Nuclear repulsion energy	95.901657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3040	26.64
2	A'	3162	3013	35.91
3	A'	3158	3009	26.71
4	A'	3150	3001	22.15
5	A'	3066	2922	22.90
6	A'	3054	2910	42.87
7	A'	3053	2909	34.72
8	A'	1710	1630	0.05
9	A'	1545	1472	6.05
10	A'	1534	1462	10.29
11	A'	1518	1447	2.35
12	A'	1453	1384	8.38
13	A'	1445	1377	0.67
14	A'	1400	1334	6.73
15	A'	1337	1274	1.04
16	A'	1330	1268	0.03
17	A'	1161	1107	0.86
18	A'	1109	1057	3.29
19	A'	1042	993	1.91
20	A'	962	917	5.64
21	A'	871	830	0.05
22	A'	577	550	0.58
23	A'	366	349	0.19
24	A'	211	201	0.24
25	A"	3164	3015	37.92
26	A"	3135	2987	26.18
27	A"	3096	2949	20.28
28	A"	1539	1466	8.11
29	A"	1513	1441	7.65
30	A"	1303	1242	0.58
31	A"	1123	1070	2.19
32	A"	1066	1016	0.69
33	A"	981	935	42.46
34	A"	819	780	1.81
35	A"	691	658	0.17
36	A"	307	292	1.88
37	A"	217	207	2.31
38	A"	183	175	1.34
39	A"	99	94	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	-0.732	-1.232	0.000
C2	-0.986	-0.171	0.000
H3	-0.284	1.809	0.000
C4	0.000	0.753	0.000
H5	-2.959	-0.247	0.883
H6	-2.959	-0.247	-0.883
H7	-2.610	1.255	0.000
C8	-2.460	0.171	0.000
H9	1.935	0.969	-0.877
H10	1.935	0.969	0.877
C11	1.491	0.476	0.000
H12	2.973	-1.113	0.000
H13	1.494	-1.520	0.888
H14	1.494	-1.520	-0.888
C15	1.882	-1.010	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0904	3.0739	2.1157	2.5899	2.5899	3.1159	2.2248	3.5679	3.5679	2.8036	3.7068	2.4139	2.4139	2.6242
C2	1.0904		2.1009	1.3511	2.1633	2.1633	2.1615	1.5131	3.2558	3.2558	2.5597	4.0686	2.9589	2.9589	2.9880
H3	3.0739	2.1009		1.0937	3.4874	3.4874	2.3907	2.7236	2.5298	2.5298	2.2200	4.3758	3.8774	3.8774	3.5555
C4	2.1157	1.3511	1.0937		3.2458	3.2458	2.6576	2.5276	2.1356	2.1356	1.5165	3.5099	2.8614	2.8614	2.5791
H5	2.5899	2.1633	3.4874	3.2458		1.7658	1.7769	1.0969	5.3413	5.0432	4.5940	6.0592	4.6313	4.9582	4.9801
H6	2.5899	2.1633	3.4874	3.2458	1.7658		1.7769	1.0969	5.0432	5.3413	4.5940	6.0592	4.9582	4.6313	4.9801
H7	3.1159	2.1615	2.3907	2.6576	1.7769	1.7769		1.0949	4.6376	4.6376	4.1741	6.0639	5.0328	5.0328	5.0308
C8	2.2248	1.5131	2.7236	2.5276	1.0969	1.0969	1.0949		4.5521	4.5521	3.9624	5.5817	4.3904	4.3904	4.4995
H9	3.5679	3.2558	2.5298	2.1356	5.3413	5.0432	4.6376	4.5521		1.7531	1.0995	2.4862	3.0830	2.5284	2.1652
H10	3.5679	3.2558	2.5298	2.1356	5.0432	5.3413	4.6376	4.5521	1.7531		1.0995	2.4862	2.5284	3.0830	2.1652
C11	2.8036	2.5597	2.2200	1.5165	4.5940	4.5940	4.1741	3.9624	1.0995	1.0995		2.1728	2.1848	2.1848	1.5367
H12	3.7068	4.0686	4.3758	3.5099	6.0592	6.0592	6.0639	5.5817	2.4862	2.4862	2.1728		1.7721	1.7721	1.0950
H13	2.4139	2.9589	3.8774	2.8614	4.6313	4.9582	5.0328	4.3904	3.0830	2.5284	2.1848	1.7721		1.7754	1.0952
H14	2.4139	2.9589	3.8774	2.8614	4.9582	4.6313	5.0328	4.3904	2.5284	3.0830	2.1848	1.7721	1.7754		1.0952
C15	2.6242	2.9880	3.5555	2.5791	4.9801	4.9801	5.0308	4.4995	2.1652	2.1652	1.5367	1.0950	1.0952	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.740	H1	C2	C8	116.471
C2	C4	H3	118.103	C2	C4	C11	126.313
C2	C8	H5	110.957	C2	C8	H6	110.957
C2	C8	H7	110.931	H3	C4	C11	115.584
C4	C2	C8	123.789	C4	C11	H9	108.384
C4	C11	H10	108.384	C4	C11	C15	115.281
H5	C8	H6	107.205	H5	C8	H7	108.328
H6	C8	H7	108.328	H9	C11	H10	105.729
H9	C11	C15	109.316	H10	C11	C15	109.316
C11	C15	H12	110.179	C11	C15	H13	111.116
C11	C15	H14	111.116	H12	C15	H13	108.011
H12	C15	H14	108.011	H13	C15	H14	108.293

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

using model chemistry: MP2/CEP-121G*

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, (E)-)

using model chemistry: MP2/CEP-121G*

States and conformations

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