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	hartrees
Energy at 0K	-195.338479
Energy at 298.15K	-195.348480
Nuclear repulsion energy	169.470135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3071	3054	67.66
2	A	3052	3035	11.34
3	A	3047	3030	38.61
4	A	3039	3023	20.32
5	A	3032	3015	16.59
6	A	3014	2997	2.88
7	A	2989	2973	24.92
8	A	2972	2956	30.51
9	A	2958	2941	26.68
10	A	2953	2937	27.10
11	A	1667	1658	1.01
12	A	1538	1529	5.97
13	A	1530	1522	6.24
14	A	1526	1518	4.47
15	A	1521	1513	5.37
16	A	1509	1501	1.83
17	A	1436	1428	6.42
18	A	1425	1417	4.33
19	A	1415	1407	1.70
20	A	1331	1324	2.59
21	A	1304	1297	0.93
22	A	1288	1281	0.56
23	A	1163	1157	2.48
24	A	1087	1081	4.13
25	A	1069	1063	0.02
26	A	1051	1046	0.44
27	A	987	981	0.51
28	A	968	963	4.43
29	A	906	901	10.75
30	A	841	837	1.88
31	A	790	786	4.13
32	A	707	703	36.26
33	A	569	566	7.14
34	A	468	466	1.71
35	A	304	303	0.04
36	A	253	252	0.05
37	A	218	217	0.02
38	A	144	143	0.36
39	A	60	59	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	2.187	-0.314	-0.431
H2	2.666	0.661	-0.620
H3	2.954	-1.011	-0.054
H4	1.797	-0.698	-1.387
C5	1.023	-0.159	0.604
H6	0.562	-1.143	0.786
H7	1.450	0.187	1.565
C8	-2.064	-0.698	-0.069
H9	-2.477	-0.983	-1.054
H10	-1.423	-1.519	0.286
H11	-2.919	-0.603	0.626
C12	-0.015	0.847	0.126
H13	0.373	1.866	-0.005
C14	-1.310	0.620	-0.169
H15	-1.914	1.465	-0.519

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.1033	1.1030	1.1019	1.5647	2.1926	2.1855	4.2827	4.7526	3.8719	5.2214	2.5503	2.8670	3.6281	4.4712
H2	1.1033		1.7893	1.7867	2.2071	3.1082	2.5454	4.9519	5.4172	4.7214	5.8601	2.7890	2.6620	4.0014	4.6516
H3	1.1030	1.7893		1.7928	2.2102	2.5382	2.5134	5.0269	5.5222	4.4186	5.9254	3.5067	3.8648	4.5659	5.4815
H4	1.1019	1.7867	1.7928		2.2029	2.5387	3.1013	4.0791	4.2963	3.7196	5.1279	2.8212	3.2418	3.5875	4.3825
C5	1.5647	2.2071	2.2102	2.2029		1.1016	1.1070	3.2048	3.9598	2.8164	3.9667	1.5225	2.2119	2.5778	3.5396
H6	2.1926	3.1082	2.5382	2.5387	1.1016		1.7786	2.7968	3.5564	2.0810	3.5258	2.1743	3.1163	2.7424	3.8259
H7	2.1855	2.5454	2.5134	3.1013	1.1070	1.7786		3.9745	4.8631	3.5774	4.5376	2.1565	2.5378	3.2874	4.1586
C8	4.2827	4.9519	5.0269	4.0791	3.2048	2.7968	3.9745		1.1059	1.0999	1.1059	2.5735	3.5375	1.5216	2.2147
H9	4.7526	5.4172	5.5222	4.2963	3.9598	3.5564	4.8631	1.1059		1.7870	1.7781	3.2874	4.1642	2.1719	2.5687
H10	3.8719	4.7214	4.4186	3.7196	2.8164	2.0810	3.5774	1.0999	1.7870		1.7866	2.7577	3.8422	2.1892	3.1294
H11	5.2214	5.8601	5.9254	5.1279	3.9667	3.5258	4.5376	1.1059	1.7781	1.7866		3.2841	4.1627	2.1716	2.5685
C12	2.5503	2.7890	3.5067	2.8212	1.5225	2.1743	2.1565	2.5735	3.2874	2.7577	3.2841		1.0977	1.3473	2.0993
H13	2.8670	2.6620	3.8648	3.2418	2.2119	3.1163	2.5378	3.5375	4.1642	3.8422	4.1627	1.0977		2.1001	2.3785
C14	3.6281	4.0014	4.5659	3.5875	2.5778	2.7424	3.2874	1.5216	2.1719	2.1892	2.1716	1.3473	2.1001		1.0969
H15	4.4712	4.6516	5.4815	4.3825	3.5396	3.8259	4.1586	2.2147	2.5687	3.1294	2.5685	2.0993	2.3785	1.0969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.413	C1	C5	H7	108.566
C1	C5	C12	111.395	H2	C1	H3	108.384
H2	C1	H4	108.237	H2	C1	C5	110.445
H3	C1	H4	108.801	H3	C1	C5	110.705
H4	C1	C5	110.201	C5	C12	H13	114.189
C5	C12	C14	127.760	H6	C5	H7	107.282
H6	C5	C12	110.894	H7	C5	C12	109.173
C8	C14	C12	127.443	C8	C14	H15	114.537
H9	C8	H10	108.221	H9	C8	H11	107.016
H9	C8	C14	110.503	H10	C8	H11	108.182
H10	C8	C14	112.250	H11	C8	C14	110.486
C12	C14	H15	118.019	H13	C12	C14	118.037

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

using model chemistry: BLYP/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	-0.508
2	H	0.174
3	H	0.172
4	H	0.182
5	C	-0.416
6	H	0.182
7	H	0.184
8	C	-0.577
9	H	0.187
10	H	0.187
11	H	0.188
12	C	-0.121
13	H	0.154
14	C	-0.146
15	H	0.157

	x	y	z	Total
	-0.016	-0.210	0.008	0.211
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	166.962
(<r²>)^1/2	12.921

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

using model chemistry: BLYP/3-21G

States and conformations

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