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	hartrees
Energy at 0K	-195.182461
Energy at 298.15K	-195.192475
Nuclear repulsion energy	170.146106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3087	3058	54.51
2	A	3068	3040	25.62
3	A	3066	3038	14.02
4	A	3058	3030	25.73
5	A	3050	3023	5.19
6	A	3029	3002	2.61
7	A	3014	2987	18.25
8	A	2981	2954	27.45
9	A	2969	2942	18.57
10	A	2968	2941	25.85
11	A	1682	1667	1.11
12	A	1525	1511	8.01
13	A	1518	1504	8.60
14	A	1513	1500	7.21
15	A	1507	1493	7.56
16	A	1493	1480	2.61
17	A	1424	1411	8.25
18	A	1411	1398	7.26
19	A	1402	1390	2.76
20	A	1319	1307	1.12
21	A	1298	1287	1.22
22	A	1279	1267	0.78
23	A	1160	1150	2.97
24	A	1084	1074	4.66
25	A	1061	1051	0.03
26	A	1047	1038	0.61
27	A	999	990	4.22
28	A	982	973	0.53
29	A	923	915	14.53
30	A	853	845	2.18
31	A	791	784	4.46
32	A	709	702	44.65
33	A	569	563	8.66
34	A	471	466	2.30
35	A	309	306	0.05
36	A	252	250	0.06
37	A	221	219	0.02
38	A	142	141	0.46
39	A	60	59	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	2.164	-0.315	-0.432
H2	2.645	0.660	-0.626
H3	2.933	-1.017	-0.065
H4	1.761	-0.696	-1.387
C5	1.017	-0.158	0.605
H6	0.549	-1.140	0.791
H7	1.449	0.189	1.565
C8	-2.044	-0.697	-0.067
H9	-2.453	-0.990	-1.053
H10	-1.396	-1.512	0.293
H11	-2.902	-0.605	0.626
C12	-0.010	0.848	0.128
H13	0.381	1.867	-0.006
C14	-1.303	0.619	-0.170
H15	-1.909	1.463	-0.525

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.1049	1.1045	1.1034	1.5542	2.1871	2.1804	4.2404	4.7067	3.8252	5.1833	2.5281	2.8500	3.5997	4.4451
H2	1.1049		1.7919	1.7886	2.1984	3.1047	2.5398	4.9128	5.3750	4.6791	5.8254	2.7659	2.6391	3.9740	4.6252
H3	1.1045	1.7919		1.7957	2.2044	2.5363	2.5124	4.9875	5.4765	4.3727	5.8908	3.4896	3.8516	4.5423	5.4601
H4	1.1034	1.7886	1.7957		2.1933	2.5316	3.0974	4.0275	4.2377	3.6686	5.0801	2.7957	3.2220	3.5493	4.3447
C5	1.5542	2.1984	2.2044	2.1933		1.1038	1.1086	3.1797	3.9348	2.7850	3.9447	1.5142	2.2082	2.5661	3.5309
H6	2.1871	3.1047	2.5363	2.5316	1.1038		1.7820	2.7669	3.5265	2.0423	3.4963	2.1687	3.1151	2.7287	3.8146
H7	2.1804	2.5398	2.5124	3.0974	1.1086	1.7820		3.9562	4.8450	3.5510	4.5221	2.1515	2.5349	3.2820	4.1563
C8	4.2404	4.9128	4.9875	4.0275	3.1797	2.7669	3.9562		1.1071	1.1018	1.1071	2.5615	3.5291	1.5132	2.2119
H9	4.7067	5.3750	5.4765	4.2377	3.9348	3.5265	4.8450	1.1071		1.7895	1.7803	3.2774	4.1578	2.1654	2.5670
H10	3.8252	4.6791	4.3727	3.6686	2.7850	2.0423	3.5510	1.1018	1.7895		1.7891	2.7422	3.8296	2.1825	3.1280
H11	5.1833	5.8254	5.8908	5.0801	3.9447	3.4963	4.5221	1.1071	1.7803	1.7891		3.2749	4.1579	2.1654	2.5668
C12	2.5281	2.7659	3.4896	2.7957	1.5142	2.1687	2.1515	2.5615	3.2774	2.7422	3.2749		1.0995	1.3467	2.1008
H13	2.8500	2.6391	3.8516	3.2220	2.2082	3.1151	2.5349	3.5291	4.1578	3.8296	4.1579	1.0995		2.1024	2.3828
C14	3.5997	3.9740	4.5423	3.5493	2.5661	2.7287	3.2820	1.5132	2.1654	2.1825	2.1654	1.3467	2.1024		1.0986
H15	4.4451	4.6252	5.4601	4.3447	3.5309	3.8146	4.1563	2.2119	2.5670	3.1280	2.5668	2.1008	2.3828	1.0986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.569	C1	C5	H7	108.783
C1	C5	C12	110.952	H2	C1	H3	108.395
H2	C1	H4	108.180	H2	C1	C5	110.389
H3	C1	H4	108.842	H3	C1	C5	110.886
H4	C1	C5	110.078	C5	C12	H13	114.385
C5	C12	C14	127.426	H6	C5	H7	107.304
H6	C5	C12	110.888	H7	C5	C12	109.249
C8	C14	C12	127.094	C8	C14	H15	114.824
H9	C8	H10	108.219	H9	C8	H11	107.037
H9	C8	C14	110.507	H10	C8	H11	108.190
H10	C8	C14	112.200	H11	C8	C14	110.508
C12	C14	H15	118.081	H13	C12	C14	118.166

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

using model chemistry: PBEPBE/3-21G

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	-0.585
2	H	0.201
3	H	0.200
4	H	0.210
5	C	-0.483
6	H	0.210
7	H	0.215
8	C	-0.656
9	H	0.215
10	H	0.213
11	H	0.216
12	C	-0.149
13	H	0.185
14	C	-0.180
15	H	0.189

	x	y	z	Total
	-0.019	-0.219	-0.007	0.220
CHELPG
AIM
ESP

	x	y	z
x	10.440	0.365	0.740
y	0.365	7.070	-0.209
z	0.740	-0.209	5.664

<r²>	164.918
(<r²>)^1/2	12.842

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

using model chemistry: PBEPBE/3-21G

States and conformations

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