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	hartrees
Energy at 0K	-196.151557
Energy at 298.15K	-196.161678
HF Energy	-195.212509
Nuclear repulsion energy	172.915220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3047	36.71
2	A	3184	3023	8.14
3	A	3170	3010	27.35
4	A	3167	3006	20.52
5	A	3163	3003	13.36
6	A	3140	2981	12.00
7	A	3137	2978	4.36
8	A	3090	2934	31.85
9	A	3089	2932	10.39
10	A	3086	2930	25.27
11	A	1737	1649	2.59
12	A	1532	1455	7.36
13	A	1525	1448	6.81
14	A	1522	1445	3.31
15	A	1511	1434	5.73
16	A	1505	1429	1.53
17	A	1455	1381	7.06
18	A	1417	1345	2.65
19	A	1414	1343	2.19
20	A	1348	1280	2.74
21	A	1317	1251	0.08
22	A	1291	1226	0.02
23	A	1183	1124	0.30
24	A	1109	1052	4.12
25	A	1077	1023	1.87
26	A	1063	1009	0.84
27	A	1062	1008	1.53
28	A	1021	969	0.35
29	A	959	910	10.26
30	A	883	839	1.07
31	A	803	763	2.94
32	A	749	711	33.68
33	A	566	537	5.00
34	A	485	461	1.40
35	A	316	300	0.06
36	A	262	249	0.02
37	A	231	220	0.01
38	A	140	133	0.38
39	A	44	42	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	2.144	-0.299	-0.415
H2	2.626	0.661	-0.575
H3	2.894	-0.998	-0.058
H4	1.775	-0.650	-1.374
C5	1.001	-0.169	0.580
H6	0.539	-1.139	0.737
H7	1.402	0.148	1.541
C8	-2.023	-0.683	-0.073
H9	-2.450	-0.938	-1.039
H10	-1.386	-1.501	0.242
H11	-2.848	-0.606	0.631
C12	-0.007	0.829	0.127
H13	0.371	1.835	0.004
C14	-1.290	0.611	-0.157
H15	-1.880	1.454	-0.486

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0860	1.0856	1.0853	1.5214	2.1466	2.1399	4.1988	4.6800	3.7863	5.1098	2.4884	2.8058	3.5616	4.3895
H2	1.0860		1.7580	1.7553	2.1595	3.0518	2.4977	4.8652	5.3419	4.6296	5.7465	2.7294	2.6070	3.9378	4.5756
H3	1.0856	1.7580		1.7615	2.1632	2.4899	2.4697	4.9276	5.4339	4.3202	5.7970	3.4334	3.7940	4.4838	5.3838
H4	1.0853	1.7553	1.7615		2.1564	2.4943	3.0456	4.0154	4.2484	3.6508	5.0397	2.7597	3.1696	3.5309	4.3100
C5	1.5214	2.1595	2.1632	2.1564		1.0852	1.0887	3.1363	3.8890	2.7540	3.8742	1.4894	2.1782	2.5298	3.4742
H6	2.1466	3.0518	2.4899	2.4943	1.0852		1.7461	2.7254	3.4826	2.0201	3.4305	2.1313	3.0668	2.6843	3.7504
H7	2.1399	2.4977	2.4697	3.0456	1.0887	1.7461		3.8768	4.7623	3.4901	4.4117	2.1096	2.5042	3.2163	4.0726
C8	4.1988	4.8652	4.9276	4.0154	3.1363	2.7254	3.8768		1.0869	1.0836	1.0871	2.5283	3.4749	1.4903	2.1808
H9	4.6800	5.3419	5.4339	4.2484	3.8890	3.4826	4.7623	1.0869		1.7580	1.7489	3.2331	4.0908	2.1277	2.5205
H10	3.7863	4.6296	4.3202	3.6508	2.7540	2.0201	3.4901	1.0836	1.7580		1.7579	2.7100	3.7772	2.1518	3.0826
H11	5.1098	5.7465	5.7970	5.0397	3.8742	3.4305	4.4117	1.0871	1.7489	1.7579		3.2230	4.0879	2.1289	2.5351
C12	2.4884	2.7294	3.4334	2.7597	1.4894	2.1313	2.1096	2.5283	3.2331	2.7100	3.2230		1.0809	1.3317	2.0673
H13	2.8058	2.6070	3.7940	3.1696	2.1782	3.0668	2.5042	3.4749	4.0908	3.7772	4.0879	1.0809		2.0685	2.3347
C14	3.5616	3.9378	4.4838	3.5309	2.5298	2.6843	3.2163	1.4903	2.1277	2.1518	2.1289	1.3317	2.0685		1.0797
H15	4.3895	4.5756	5.3838	4.3100	3.4742	3.7504	4.0726	2.1808	2.5205	3.0826	2.5351	2.0673	2.3347	1.0797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.744	C1	C5	H7	109.012
C1	C5	C12	111.474	H2	C1	H3	108.100
H2	C1	H4	107.878	H2	C1	C5	110.725
H3	C1	H4	108.468	H3	C1	C5	111.043
H4	C1	C5	110.520	C5	C12	H13	114.944
C5	C12	C14	127.376	H6	C5	H7	106.874
H6	C5	C12	110.773	H7	C5	C12	108.834
C8	C14	C12	127.170	C8	C14	H15	115.185
H9	C8	H10	108.180	H9	C8	H11	107.113
H9	C8	C14	110.318	H10	C8	H11	108.159
H10	C8	C14	112.486	H11	C8	C14	110.400
C12	C14	H15	117.645	H13	C12	C14	117.672

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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