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	hartrees
Energy at 0K	-33.152364
Energy at 298.15K	-33.162623
Nuclear repulsion energy	95.995471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3352	3021	128.37
2	A	3318	2991	41.25
3	A	3308	2982	63.37
4	A	3291	2966	69.21
5	A	3280	2957	93.45
6	A	3268	2946	21.12
7	A	3260	2938	71.14
8	A	3214	2897	42.85
9	A	3202	2886	78.51
10	A	3197	2881	78.75
11	A	1870	1685	2.77
12	A	1645	1483	11.54
13	A	1634	1473	0.61
14	A	1632	1471	7.60
15	A	1627	1467	8.52
16	A	1624	1464	7.48
17	A	1576	1421	4.63
18	A	1556	1402	3.45
19	A	1549	1396	0.76
20	A	1472	1327	6.53
21	A	1410	1271	0.17
22	A	1390	1253	0.17
23	A	1278	1152	0.59
24	A	1201	1082	8.25
25	A	1183	1066	3.48
26	A	1148	1035	0.13
27	A	1124	1013	0.38
28	A	1111	1002	1.72
29	A	1009	909	9.58
30	A	925	834	1.93
31	A	862	777	11.63
32	A	798	719	53.37
33	A	602	543	6.51
34	A	501	452	1.38
35	A	319	288	0.03
36	A	276	249	0.12
37	A	228	205	0.02
38	A	116	105	0.41
39	A	45	41	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.189	-0.286	-0.418
H2	2.670	0.683	-0.561
H3	2.944	-0.988	-0.062
H4	1.835	-0.629	-1.392
C5	1.015	-0.178	0.588
H6	0.561	-1.156	0.726
H7	1.416	0.121	1.559
C8	-2.100	-0.655	-0.087
H9	-2.543	-0.874	-1.061
H10	-1.483	-1.503	0.199
H11	-2.921	-0.581	0.630
C12	-0.015	0.853	0.148
H13	0.367	1.862	0.048
C14	-1.324	0.654	-0.141
H15	-1.903	1.515	-0.447

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0914	1.0910	1.0909	1.5502	2.1718	2.1623	4.3177	4.8110	3.9175	5.2247	2.5446	2.8551	3.6468	4.4711
H2	1.0914		1.7649	1.7632	2.1917	3.0804	2.5272	4.9775	5.4635	4.7550	5.8550	2.7826	2.6585	4.0165	4.6502
H3	1.0910	1.7649		1.7683	2.1913	2.5158	2.4893	5.0556	5.5785	4.4653	5.9202	3.4916	3.8441	4.5737	5.4694
H4	1.0909	1.7632	1.7683		2.1898	2.5270	3.0737	4.1459	4.3968	3.7819	5.1680	2.8264	3.2302	3.6314	4.4117
C5	1.5502	2.1917	2.1913	2.1898		1.0871	1.0927	3.2228	3.9824	2.8545	3.9566	1.5225	2.2078	2.5870	3.5292
H6	2.1718	3.0804	2.5158	2.5270	1.0871		1.7483	2.8278	3.5931	2.1401	3.5310	2.1693	3.1001	2.7537	3.8199
H7	2.1623	2.5272	2.4893	3.0737	1.0927	1.7483		3.9592	4.8505	3.5911	4.4906	2.1391	2.5326	3.2680	4.1215
C8	4.3177	4.9775	5.0556	4.1459	3.2228	2.8278	3.9592		1.0922	1.0866	1.0922	2.5844	3.5278	1.5228	2.2095
H9	4.8110	5.4635	5.5785	4.3968	3.9824	3.5931	4.8505	1.0922		1.7621	1.7575	3.2914	4.1454	2.1599	2.5484
H10	3.9175	4.7550	4.4653	3.7819	2.8545	2.1401	3.5911	1.0866	1.7621		1.7617	2.7770	3.8436	2.1891	3.1154
H11	5.2247	5.8550	5.9202	5.1680	3.9566	3.5310	4.4906	1.0922	1.7575	1.7617		3.2765	4.1377	2.1609	2.5676
C12	2.5446	2.7826	3.4916	2.8264	1.5225	2.1693	2.1391	2.5844	3.2914	2.7770	3.2765		1.0835	1.3552	2.0876
H13	2.8551	2.6585	3.8441	3.2302	2.2078	3.1001	2.5326	3.5278	4.1454	3.8436	4.1377	1.0835		2.0872	2.3496
C14	3.6468	4.0165	4.5737	3.6314	2.5870	2.7537	3.2680	1.5228	2.1599	2.1891	2.1609	1.3552	2.0872		1.0828
H15	4.4711	4.6502	5.4694	4.4117	3.5292	3.8199	4.1215	2.2095	2.5484	3.1154	2.5676	2.0876	2.3496	1.0828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.621	C1	C5	H7	108.562
C1	C5	C12	111.808	H2	C1	H3	107.943
H2	C1	H4	107.797	H2	C1	C5	110.941
H3	C1	H4	108.286	H3	C1	C5	110.933
H4	C1	C5	110.817	C5	C12	H13	114.763
C5	C12	C14	127.954	H6	C5	H7	106.659
H6	C5	C12	111.370	H7	C5	C12	108.643
C8	C14	C12	127.697	C8	C14	H15	114.933
H9	C8	H10	107.954	H9	C8	H11	107.131
H9	C8	C14	110.284	H10	C8	H11	107.909
H10	C8	C14	112.990	H11	C8	C14	110.359
C12	C14	H15	117.370	H13	C12	C14	117.279

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

using model chemistry: HF/CEP-31G

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	-0.368
2	H	0.104
3	H	0.124
4	H	0.099
5	C	-0.032
6	H	0.103
7	H	0.068
8	C	-0.315
9	H	0.106
10	H	0.122
11	H	0.107
12	C	-0.221
13	H	0.188
14	C	-0.274
15	H	0.191

	x	y	z	Total
	-0.002	-0.253	0.018	0.253
CHELPG
AIM
ESP

	x	y	z
x	10.507	0.402	0.644
y	0.402	6.679	-0.061
z	0.644	-0.061	5.807

<r²>	139.565
(<r²>)^1/2	11.814

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

using model chemistry: HF/CEP-31G

States and conformations

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