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	hartrees
Energy at 0K	-195.895759
Energy at 298.15K	-195.905826
HF Energy	-195.157613
Nuclear repulsion energy	171.915754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3037	49.95
2	A	3237	3025	9.79
3	A	3231	3019	35.56
4	A	3225	3013	30.05
5	A	3216	3005	3.91
6	A	3200	2990	19.16
7	A	3192	2983	7.38
8	A	3128	2923	29.61
9	A	3127	2922	18.07
10	A	3124	2919	26.26
11	A	1759	1644	1.47
12	A	1568	1465	4.91
13	A	1561	1459	5.13
14	A	1558	1456	2.64
15	A	1545	1443	4.21
16	A	1541	1440	0.73
17	A	1484	1386	4.93
18	A	1462	1366	1.07
19	A	1453	1357	1.99
20	A	1378	1287	6.15
21	A	1337	1249	0.06
22	A	1315	1228	0.08
23	A	1202	1123	0.50
24	A	1128	1054	3.64
25	A	1093	1021	0.97
26	A	1081	1010	0.03
27	A	1073	1002	1.88
28	A	1008	942	0.23
29	A	971	907	7.42
30	A	892	834	1.03
31	A	811	758	2.42
32	A	740	691	28.96
33	A	570	533	5.25
34	A	477	446	1.07
35	A	317	296	0.05
36	A	259	242	0.01
37	A	233	217	0.01
38	A	115	107	0.28
39	A	46	43	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	2.129	-0.339	-0.425
H2	2.610	0.602	-0.685
H3	2.895	-1.013	-0.044
H4	1.720	-0.767	-1.338
C5	1.022	-0.118	0.604
H6	0.566	-1.072	0.862
H7	1.463	0.272	1.525
C8	-2.022	-0.699	-0.051
H9	-2.449	-0.994	-1.009
H10	-1.378	-1.504	0.289
H11	-2.850	-0.610	0.652
C12	-0.008	0.851	0.109
H13	0.354	1.862	-0.054
C14	-1.295	0.604	-0.179
H15	-1.891	1.432	-0.545

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0888	1.0886	1.0881	1.5284	2.1534	2.1495	4.1839	4.6620	3.7647	5.1020	2.5044	2.8523	3.5600	4.3948
H2	1.0888		1.7615	1.7589	2.1688	3.0618	2.5119	4.8530	5.3150	4.6147	5.7509	2.7471	2.6599	3.9372	4.5787
H3	1.0886	1.7615		1.7648	2.1749	2.4991	2.4824	4.9268	5.4305	4.3141	5.8008	3.4533	3.8370	4.4924	5.3973
H4	1.0881	1.7589	1.7648		2.1641	2.5030	3.0565	3.9581	4.1887	3.5768	4.9875	2.7750	3.2292	3.5088	4.3018
C5	1.5284	2.1688	2.1749	2.1641		1.0886	1.0924	3.1675	3.9269	2.7899	3.9034	1.4981	2.1903	2.5494	3.4937
H6	2.1534	3.0618	2.4991	2.5030	1.0886		1.7463	2.7699	3.5498	2.0728	3.4538	2.1438	3.0808	2.7118	3.7799
H7	2.1495	2.5119	2.4824	3.0565	1.0924	1.7463		3.9459	4.8300	3.5713	4.4879	2.1221	2.5001	3.2583	4.1083
C8	4.1839	4.8530	4.9268	3.9581	3.1675	2.7699	3.9459		1.0899	1.0859	1.0901	2.5465	3.4929	1.4973	2.1914
H9	4.6620	5.3150	5.4305	4.1887	3.9269	3.5498	4.8300	1.0899		1.7590	1.7519	3.2580	4.1137	2.1388	2.5322
H10	3.7647	4.6147	4.3141	3.5768	2.7899	2.0728	3.5713	1.0859	1.7590		1.7599	2.7312	3.8011	2.1610	3.0954
H11	5.1020	5.7509	5.8008	4.9875	3.9034	3.4538	4.4879	1.0901	1.7519	1.7599		3.2417	4.1077	2.1412	2.5546
C12	2.5044	2.7471	3.4533	2.7750	1.4981	2.1438	2.1221	2.5465	3.2580	2.7312	3.2417		1.0855	1.3414	2.0761
H13	2.8523	2.6599	3.8370	3.2292	2.1903	3.0808	2.5001	3.4929	4.1137	3.8011	4.1077	1.0855		2.0772	2.3373
C14	3.5600	3.9372	4.4924	3.5088	2.5494	2.7118	3.2583	1.4973	2.1388	2.1610	2.1412	1.3414	2.0772		1.0844
H15	4.3948	4.5787	5.3973	4.3018	3.4937	3.7799	4.1083	2.1914	2.5322	3.0954	2.5546	2.0761	2.3373	1.0844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.596	C1	C5	H7	109.067
C1	C5	C12	111.671	H2	C1	H3	107.996
H2	C1	H4	107.800	H2	C1	C5	110.806
H3	C1	H4	108.346	H3	C1	C5	111.301
H4	C1	C5	110.470	C5	C12	H13	114.998
C5	C12	C14	127.655	H6	C5	H7	106.396
H6	C5	C12	110.952	H7	C5	C12	109.000
C8	C14	C12	127.460	C8	C14	H15	115.229
H9	C8	H10	107.886	H9	C8	H11	106.958
H9	C8	C14	110.527	H10	C8	H11	107.957
H10	C8	C14	112.585	H11	C8	C14	110.710
C12	C14	H15	117.311	H13	C12	C14	117.327

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H10 (2-Pentene, (Z)-)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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