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	hartrees
Energy at 0K	-33.251929
Energy at 298.15K	-33.262200
Nuclear repulsion energy	96.512533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	2994	84.37
2	A	3287	2969	28.86
3	A	3282	2965	34.76
4	A	3256	2941	66.05
5	A	3246	2933	63.71
6	A	3233	2921	17.91
7	A	3227	2916	47.71
8	A	3183	2876	20.18
9	A	3179	2872	72.24
10	A	3173	2867	57.87
11	A	1854	1675	3.07
12	A	1639	1480	4.82
13	A	1627	1470	3.36
14	A	1626	1469	3.58
15	A	1619	1463	4.72
16	A	1617	1461	3.08
17	A	1567	1416	1.88
18	A	1544	1395	1.13
19	A	1532	1384	2.53
20	A	1455	1314	15.14
21	A	1401	1265	0.03
22	A	1377	1244	0.25
23	A	1262	1140	0.05
24	A	1184	1070	7.06
25	A	1164	1051	5.61
26	A	1127	1019	0.04
27	A	1110	1003	0.80
28	A	1086	981	1.75
29	A	987	892	6.12
30	A	909	821	1.06
31	A	847	765	8.04
32	A	779	704	36.91
33	A	597	539	4.47
34	A	502	454	1.03
35	A	317	287	0.03
36	A	278	251	0.04
37	A	230	208	0.02
38	A	128	115	0.32
39	A	55	50	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	2.182	-0.280	-0.415
H2	2.665	0.685	-0.553
H3	2.936	-0.980	-0.060
H4	1.835	-0.619	-1.387
C5	1.013	-0.179	0.583
H6	0.566	-1.158	0.719
H7	1.404	0.121	1.555
C8	-2.098	-0.647	-0.088
H9	-2.540	-0.853	-1.061
H10	-1.495	-1.502	0.193
H11	-2.917	-0.563	0.624
C12	-0.022	0.838	0.146
H13	0.355	1.848	0.048
C14	-1.308	0.645	-0.135
H15	-1.880	1.511	-0.437

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0880	1.0879	1.0871	1.5403	2.1606	2.1556	4.3080	4.8009	3.9219	5.2112	2.5340	2.8431	3.6215	4.4402
H2	1.0880		1.7579	1.7573	2.1829	3.0692	2.5200	4.9670	5.4514	4.7581	5.8391	2.7798	2.6551	3.9948	4.6211
H3	1.0879	1.7579		1.7615	2.1798	2.5008	2.4833	5.0444	5.5681	4.4680	5.9068	3.4777	3.8306	4.5448	5.4355
H4	1.0871	1.7573	1.7615		2.1799	2.5171	3.0646	4.1417	4.3936	3.7898	5.1599	2.8144	3.2156	3.6117	4.3872
C5	1.5403	2.1829	2.1798	2.1799		1.0848	1.0898	3.2168	3.9731	2.8619	3.9488	1.5158	2.1979	2.5659	3.5032
H6	2.1606	3.0692	2.5008	2.5171	1.0848		1.7431	2.8298	3.5930	2.1540	3.5342	2.1585	3.0876	2.7373	3.8009
H7	2.1556	2.5200	2.4833	3.0646	1.0898	1.7431		3.9440	4.8326	3.5904	4.4728	2.1296	2.5217	3.2388	4.0857
C8	4.3080	4.9670	5.0444	4.1417	3.2168	2.8298	3.9440		1.0884	1.0835	1.0885	2.5633	3.5009	1.5149	2.1968
H9	4.8009	5.4514	5.5681	4.3936	3.9731	3.5930	4.8326	1.0884		1.7572	1.7506	3.2650	4.1117	2.1494	2.5327
H10	3.9219	4.7581	4.4680	3.7898	2.8619	2.1540	3.5904	1.0835	1.7572		1.7573	2.7654	3.8291	2.1798	3.1023
H11	5.2112	5.8391	5.9068	5.1599	3.9488	3.5342	4.4728	1.0885	1.7506	1.7573		3.2518	4.1046	2.1504	2.5501
C12	2.5340	2.7798	3.4777	2.8144	1.5158	2.1585	2.1296	2.5633	3.2650	2.7654	3.2518		1.0821	1.3308	2.0611
H13	2.8431	2.6551	3.8306	3.2156	2.1979	3.0876	2.5217	3.5009	4.1117	3.8291	4.1046	1.0821		2.0603	2.3116
C14	3.6215	3.9948	4.5448	3.6117	2.5659	2.7373	3.2388	1.5149	2.1494	2.1798	2.1504	1.3308	2.0603		1.0812
H15	4.4402	4.6211	5.4355	4.3872	3.5032	3.8009	4.0857	2.1968	2.5327	3.1023	2.5501	2.0611	2.3116	1.0812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.558	C1	C5	H7	108.874
C1	C5	C12	112.022	H2	C1	H3	107.774
H2	C1	H4	107.777	H2	C1	C5	111.138
H3	C1	H4	108.168	H3	C1	C5	110.891
H4	C1	C5	110.953	C5	C12	H13	114.539
C5	C12	C14	128.568	H6	C5	H7	106.556
H6	C5	C12	111.119	H7	C5	C12	108.532
C8	C14	C12	128.399	C8	C14	H15	114.572
H9	C8	H10	108.009	H9	C8	H11	107.060
H9	C8	C14	110.233	H10	C8	H11	108.008
H10	C8	C14	113.003	H11	C8	C14	110.312
C12	C14	H15	117.028	H13	C12	C14	116.891

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

using model chemistry: HF/CEP-121G*

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	-0.507
2	H	0.153
3	H	0.168
4	H	0.156
5	C	-0.271
6	H	0.157
7	H	0.152
8	C	-0.538
9	H	0.163
10	H	0.168
11	H	0.165
12	C	-0.175
13	H	0.186
14	C	-0.162
15	H	0.185

	x	y	z	Total
	-0.006	-0.240	0.050	0.245
CHELPG
AIM
ESP

	x	y	z
x	11.126	0.332	0.641
y	0.332	7.517	-0.060
z	0.641	-0.060	6.687

<r²>	138.600
(<r²>)^1/2	11.773

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

using model chemistry: HF/CEP-121G*

States and conformations

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