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	hartrees
Energy at 0K	-195.441592
Energy at 298.15K	-195.451526
Nuclear repulsion energy	171.675065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3043	35.28
2	A	3070	3024	24.15
3	A	3068	3022	4.69
4	A	3061	3015	30.98
5	A	3058	3012	0.90
6	A	3031	2985	8.40
7	A	3012	2967	8.74
8	A	2977	2932	31.36
9	A	2968	2924	23.85
10	A	2954	2910	20.94
11	A	1715	1690	5.33
12	A	1439	1417	11.18
13	A	1431	1409	12.88
14	A	1425	1404	10.44
15	A	1412	1391	9.40
16	A	1408	1387	1.09
17	A	1381	1360	14.65
18	A	1345	1325	7.94
19	A	1337	1317	5.12
20	A	1271	1252	1.32
21	A	1244	1225	0.61
22	A	1220	1201	0.70
23	A	1134	1117	0.55
24	A	1065	1049	2.73
25	A	1035	1019	5.61
26	A	1016	1001	1.25
27	A	1008	993	1.11
28	A	961	946	0.39
29	A	933	919	17.97
30	A	866	853	2.43
31	A	768	756	4.93
32	A	689	679	43.83
33	A	560	551	9.07
34	A	456	449	1.91
35	A	304	300	0.02
36	A	251	247	0.02
37	A	220	217	0.02
38	A	153	150	0.76
39	A	61	60	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	2.198	-0.239	-0.389
H2	2.687	0.752	-0.387
H3	2.950	-0.984	-0.080
H4	1.907	-0.457	-1.431
C5	0.986	-0.250	0.526
H6	0.516	-1.250	0.521
H7	1.322	-0.079	1.569
C8	-2.057	-0.653	-0.102
H9	-2.553	-0.840	-1.073
H10	-1.417	-1.521	0.123
H11	-2.863	-0.629	0.655
C12	-0.002	0.796	0.156
H13	0.403	1.817	0.092
C14	-1.303	0.625	-0.123
H15	-1.885	1.518	-0.390

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.1046	1.1030	1.1034	1.5183	2.1633	2.1509	4.2850	4.8369	3.8693	5.1822	2.4915	2.7714	3.6155	4.4446
H2	1.1046		1.7820	1.7775	2.1741	3.0892	2.5249	4.9558	5.5185	4.7184	5.8129	2.7434	2.5650	4.0002	4.6351
H3	1.1030	1.7820		1.7859	2.1825	2.5216	2.4879	5.0188	5.5935	4.4047	5.8705	3.4554	3.7901	4.5473	5.4529
H4	1.1034	1.7775	1.7859		2.1726	2.5247	3.0797	4.1861	4.4906	3.8204	5.2093	2.7809	3.1236	3.6315	4.4006
C5	1.5183	2.1741	2.1825	2.1726		1.1055	1.1091	3.1340	3.9278	2.7484	3.8702	1.4857	2.1912	2.5348	3.4940
H6	2.1633	3.0892	2.5216	2.5247	1.1055		1.7668	2.7144	3.4819	1.9917	3.4383	2.1418	3.0995	2.6901	3.7760
H7	2.1509	2.5249	2.4879	3.0797	1.1091	1.7668		3.8139	4.7510	3.4168	4.3192	2.1252	2.5730	3.2011	4.0833
C8	4.2850	4.9558	5.0188	4.1861	3.1340	2.7144	3.8139		1.1053	1.1026	1.1058	2.5273	3.4920	1.4836	2.1968
H9	4.8369	5.5185	5.5935	4.4906	3.9278	3.4819	4.7510	1.1053		1.7842	1.7678	3.2691	4.1419	2.1470	2.5443
H10	3.8693	4.7184	4.4047	3.8204	2.7484	1.9917	3.4168	1.1026	1.7842		1.7808	2.7145	3.8025	2.1627	3.1179
H11	5.1822	5.8129	5.8705	5.2093	3.8702	3.4383	4.3192	1.1058	1.7678	1.7808		3.2345	4.1193	2.1470	2.5807
C12	2.4915	2.7434	3.4554	2.7809	1.4857	2.1418	2.1252	2.5273	3.2691	2.7145	3.2345		1.1012	1.3409	2.0889
H13	2.7714	2.5650	3.7901	3.1236	2.1912	3.0995	2.5730	3.4920	4.1419	3.8025	4.1193	1.1012		2.0927	2.3572
C14	3.6155	4.0002	4.5473	3.6315	2.5348	2.6901	3.2011	1.4836	2.1470	2.1627	2.1470	1.3409	2.0927		1.0995
H15	4.4446	4.6351	5.4529	4.4006	3.4940	3.7760	4.0833	2.1968	2.5443	3.1179	2.5807	2.0889	2.3572	1.0995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.079	C1	C5	H7	108.903
C1	C5	C12	112.068	H2	C1	H3	107.649
H2	C1	H4	107.232	H2	C1	C5	110.989
H3	C1	H4	108.076	H3	C1	C5	111.760
H4	C1	C5	110.947	C5	C12	H13	114.974
C5	C12	C14	127.403	H6	C5	H7	105.836
H6	C5	C12	110.635	H7	C5	C12	109.109
C8	C14	C12	126.890	C8	C14	H15	115.720
H9	C8	H10	107.819	H9	C8	H11	106.165
H9	C8	C14	111.210	H10	C8	H11	107.493
H10	C8	C14	112.664	H11	C8	C14	111.182
C12	C14	H15	117.389	H13	C12	C14	117.615

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.661
2	H	0.185
3	H	0.183
4	H	0.194
5	C	-0.241
6	H	0.156
7	H	0.190
8	C	-0.748
9	H	0.194
10	H	0.169
11	H	0.196
12	C	-0.078
13	H	0.143
14	C	-0.033
15	H	0.151

	x	y	z	Total
	-0.051	-0.321	0.070	0.332
CHELPG
AIM
ESP

	x	y	z
x	12.453	0.287	0.497
y	0.287	8.626	-0.087
z	0.497	-0.087	7.730

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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