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	hartrees
Energy at 0K	-195.218759
Energy at 298.15K	-195.229107
HF Energy	-195.218759
Nuclear repulsion energy	171.867968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	2981	59.94
2	A	3261	2955	19.40
3	A	3256	2951	25.48
4	A	3227	2925	40.90
5	A	3218	2917	54.08
6	A	3204	2904	12.69
7	A	3193	2894	31.69
8	A	3157	2861	7.14
9	A	3156	2861	68.95
10	A	3148	2853	36.54
11	A	1869	1694	3.34
12	A	1625	1473	6.17
13	A	1613	1462	4.74
14	A	1612	1461	2.65
15	A	1604	1454	4.56
16	A	1601	1451	3.76
17	A	1564	1417	3.85
18	A	1532	1389	1.71
19	A	1530	1387	1.48
20	A	1457	1321	10.02
21	A	1404	1272	0.06
22	A	1382	1253	0.05
23	A	1266	1147	0.10
24	A	1189	1077	4.49
25	A	1171	1062	5.70
26	A	1133	1027	0.06
27	A	1118	1013	0.80
28	A	1086	985	2.57
29	A	990	898	8.64
30	A	913	828	1.23
31	A	854	774	7.16
32	A	786	713	33.06
33	A	607	550	4.99
34	A	512	464	1.25
35	A	323	293	0.03
36	A	284	257	0.05
37	A	234	212	0.01
38	A	138	125	0.32
39	A	58	53	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	2.187	-0.284	-0.411
H2	2.657	0.682	-0.555
H3	2.944	-0.969	-0.049
H4	1.850	-0.634	-1.379
C5	1.018	-0.186	0.571
H6	0.586	-1.165	0.716
H7	1.402	0.123	1.540
C8	-2.071	-0.670	-0.082
H9	-2.511	-0.892	-1.049
H10	-1.476	-1.520	0.214
H11	-2.892	-0.579	0.622
C12	-0.018	0.809	0.129
H13	0.346	1.816	0.017
C14	-1.290	0.609	-0.145
H15	-1.857	1.470	-0.455

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0841	1.0834	1.0832	1.5301	2.1473	2.1416	4.2882	4.7796	3.9159	5.1912	2.5197	2.8253	3.5997	4.4079
H2	1.0841		1.7509	1.7499	2.1707	3.0531	2.5058	4.9410	5.4251	4.7461	5.8114	2.7650	2.6378	3.9695	4.5838
H3	1.0834	1.7509		1.7543	2.1697	2.4868	2.4687	5.0240	5.5459	4.4616	5.8872	3.4595	3.8096	4.5196	5.4001
H4	1.0832	1.7499	1.7543		2.1672	2.5040	3.0482	4.1303	4.3808	3.7924	5.1471	2.8012	3.1959	3.5956	4.3612
C5	1.5301	2.1707	2.1697	2.1672		1.0800	1.0864	3.1943	3.9464	2.8506	3.9299	1.5029	2.1835	2.5440	3.4727
H6	2.1473	3.0531	2.4868	2.5040	1.0800		1.7329	2.8179	3.5745	2.1515	3.5281	2.1460	3.0715	2.7218	3.7790
H7	2.1416	2.5058	2.4687	3.0482	1.0864	1.7329		3.9141	4.7998	3.5691	4.4466	2.1158	2.5103	3.2125	4.0514
C8	4.2882	4.9410	5.0240	4.1303	3.1943	2.8179	3.9141		1.0849	1.0785	1.0850	2.5390	3.4689	1.5004	2.1827
H9	4.7796	5.4251	5.5459	4.3808	3.9464	3.5745	4.7998	1.0849		1.7487	1.7418	3.2392	4.0779	2.1357	2.5213
H10	3.9159	4.7461	4.4616	3.7924	2.8506	2.1515	3.5691	1.0785	1.7487		1.7486	2.7485	3.8060	2.1670	3.0869
H11	5.1912	5.8114	5.8872	5.1471	3.9299	3.5281	4.4466	1.0850	1.7418	1.7486		3.2289	4.0723	2.1366	2.5350
C12	2.5197	2.7650	3.4595	2.8012	1.5029	2.1460	2.1158	2.5390	3.2392	2.7485	3.2289		1.0770	1.3161	2.0394
H13	2.8253	2.6378	3.8096	3.1959	2.1835	3.0715	2.5103	3.4689	4.0779	3.8060	4.0723	1.0770		2.0392	2.2793
C14	3.5997	3.9695	4.5196	3.5956	2.5440	2.7218	3.2125	1.5004	2.1357	2.1670	2.1366	1.3161	2.0392		1.0761
H15	4.4079	4.5838	5.4001	4.3612	3.4727	3.7790	4.0514	2.1827	2.5213	3.0869	2.5350	2.0394	2.2793	1.0761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.503	C1	C5	H7	108.681
C1	C5	C12	112.349	H2	C1	H3	107.763
H2	C1	H4	107.691	H2	C1	C5	111.121
H3	C1	H4	108.136	H3	C1	C5	111.084
H4	C1	C5	110.900	C5	C12	H13	114.627
C5	C12	C14	128.838	H6	C5	H7	106.236
H6	C5	C12	111.322	H7	C5	C12	108.526
C8	C14	C12	128.578	C8	C14	H15	114.807
H9	C8	H10	107.861	H9	C8	H11	106.775
H9	C8	C14	110.360	H10	C8	H11	107.839
H10	C8	C14	113.320	H11	C8	C14	110.428
C12	C14	H15	116.615	H13	C12	C14	116.532

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

using model chemistry: HF/Def2TZVPP

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	-0.166
2	H	0.048
3	H	0.057
4	H	0.053
5	C	-0.001
6	H	0.035
7	H	0.039
8	C	-0.142
9	H	0.061
10	H	0.054
11	H	0.062
12	C	-0.125
13	H	0.062
14	C	-0.102
15	H	0.064

	x	y	z	Total
	0.002	-0.261	0.067	0.269
CHELPG
AIM
ESP

	x	y	z
x	11.529	0.329	0.466
y	0.329	7.936	-0.037
z	0.466	-0.037	7.263

<r²>	165.067
(<r²>)^1/2	12.848

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

using model chemistry: HF/Def2TZVPP

States and conformations

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