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	hartrees
Energy at 0K	-195.957778
Energy at 298.15K	-195.967816
HF Energy	-195.161764
Nuclear repulsion energy	171.440302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3027	58.15
2	A	3232	3011	7.52
3	A	3220	3000	25.36
4	A	3212	2992	34.92
5	A	3209	2989	30.88
6	A	3187	2969	19.65
7	A	3185	2967	4.46
8	A	3125	2911	12.76
9	A	3124	2910	44.63
10	A	3120	2907	29.85
11	A	1783	1661	3.76
12	A	1559	1452	8.84
13	A	1553	1446	3.63
14	A	1551	1445	4.29
15	A	1539	1434	2.58
16	A	1534	1429	4.25
17	A	1491	1389	6.33
18	A	1466	1366	2.55
19	A	1460	1360	1.41
20	A	1384	1290	6.02
21	A	1337	1246	0.06
22	A	1315	1225	0.10
23	A	1203	1121	0.14
24	A	1128	1051	4.98
25	A	1090	1016	3.38
26	A	1083	1009	0.03
27	A	1070	997	1.97
28	A	1006	937	0.25
29	A	968	902	7.12
30	A	890	829	0.73
31	A	811	756	4.05
32	A	733	683	38.80
33	A	573	534	4.39
34	A	471	439	1.21
35	A	312	290	0.05
36	A	260	242	0.02
37	A	226	211	0.01
38	A	106	99	0.41
39	A	46	43	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.173	-0.297	-0.415
H2	2.658	0.667	-0.564
H3	2.923	-1.000	-0.057
H4	1.813	-0.643	-1.383
C5	1.014	-0.175	0.579
H6	0.556	-1.152	0.727
H7	1.409	0.136	1.549
C8	-2.053	-0.684	-0.075
H9	-2.486	-0.931	-1.044
H10	-1.421	-1.512	0.233
H11	-2.876	-0.606	0.635
C12	-0.009	0.830	0.127
H13	0.371	1.840	0.009
C14	-1.301	0.615	-0.154
H15	-1.893	1.464	-0.477

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0894	1.0889	1.0888	1.5310	2.1556	2.1511	4.2567	4.7437	3.8485	5.1662	2.5141	2.8265	3.6010	4.4313
H2	1.0894		1.7627	1.7607	2.1720	3.0645	2.5115	4.9251	5.4083	4.6929	5.8040	2.7596	2.6330	3.9808	4.6215
H3	1.0889	1.7627		1.7655	2.1739	2.4972	2.4819	4.9855	5.4986	4.3832	5.8534	3.4606	3.8184	4.5233	5.4262
H4	1.0888	1.7607	1.7655		2.1689	2.5073	3.0600	4.0810	4.3220	3.7179	5.1049	2.7869	3.1903	3.5762	4.3583
C5	1.5310	2.1720	2.1739	2.1689		1.0886	1.0924	3.1772	3.9321	2.7998	3.9150	1.5037	2.1908	2.5544	3.5013
H6	2.1556	3.0645	2.4972	2.5073	1.0886		1.7494	2.7694	3.5273	2.0697	3.4772	2.1461	3.0821	2.7108	3.7807
H7	2.1511	2.5115	2.4819	3.0600	1.0924	1.7494		3.9108	4.7996	3.5294	4.4441	2.1244	2.5206	3.2368	4.0960
C8	4.2567	4.9251	4.9855	4.0810	3.1772	2.7694	3.9108		1.0900	1.0865	1.0901	2.5520	3.5006	1.5030	2.1912
H9	4.7437	5.4083	5.4986	4.3220	3.9321	3.5273	4.7996	1.0900		1.7616	1.7542	3.2579	4.1177	2.1419	2.5320
H10	3.8485	4.6929	4.3832	3.7179	2.7998	2.0697	3.5294	1.0865	1.7616		1.7614	2.7374	3.8080	2.1658	3.0963
H11	5.1662	5.8040	5.8534	5.1049	3.9150	3.4772	4.4441	1.0901	1.7542	1.7614		3.2470	4.1134	2.1432	2.5467
C12	2.5141	2.7596	3.4606	2.7869	1.5037	2.1461	2.1244	2.5520	3.2579	2.7374	3.2470		1.0855	1.3404	2.0785
H13	2.8265	2.6330	3.8184	3.1903	2.1908	3.0821	2.5206	3.5006	4.1177	3.8080	4.1134	1.0855		2.0796	2.3467
C14	3.6010	3.9808	4.5233	3.5762	2.5544	2.7108	3.2368	1.5030	2.1419	2.1658	2.1432	1.3404	2.0796		1.0843
H15	4.4313	4.6215	5.4262	4.3583	3.5013	3.7807	4.0960	2.1912	2.5320	3.0963	2.5467	2.0785	2.3467	1.0843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.585	C1	C5	H7	109.017
C1	C5	C12	111.878	H2	C1	H3	108.039
H2	C1	H4	107.869	H2	C1	C5	110.840
H3	C1	H4	108.326	H3	C1	C5	111.026
H4	C1	C5	110.626	C5	C12	H13	114.623
C5	C12	C14	127.734	H6	C5	H7	106.665
H6	C5	C12	110.743	H7	C5	C12	108.797
C8	C14	C12	127.578	C8	C14	H15	114.796
H9	C8	H10	108.072	H9	C8	H11	107.149
H9	C8	C14	110.375	H10	C8	H11	108.050
H10	C8	C14	112.529	H11	C8	C14	110.475
C12	C14	H15	117.627	H13	C12	C14	117.637

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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