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	hartrees
Energy at 0K	-196.472112
Energy at 298.15K	-196.482265
HF Energy	-196.472112
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3026	59.97
2	A	3169	3006	14.06
3	A	3161	2999	19.59
4	A	3151	2989	35.66
5	A	3148	2986	33.54
6	A	3124	2963	4.70
7	A	3121	2961	23.39
8	A	3068	2910	29.33
9	A	3065	2907	30.87
10	A	3060	2903	32.79
11	A	1785	1693	1.96
12	A	1545	1466	7.09
13	A	1538	1459	7.38
14	A	1535	1456	3.56
15	A	1520	1442	6.28
16	A	1520	1442	1.32
17	A	1467	1391	6.85
18	A	1449	1374	2.31
19	A	1436	1362	2.02
20	A	1367	1296	6.32
21	A	1325	1257	0.20
22	A	1301	1234	0.11
23	A	1191	1130	0.66
24	A	1117	1059	3.94
25	A	1085	1029	0.61
26	A	1069	1014	0.08
27	A	1053	999	2.54
28	A	1033	980	0.50
29	A	957	908	10.83
30	A	884	839	1.43
31	A	811	769	3.53
32	A	740	702	32.16
33	A	575	546	6.02
34	A	486	461	1.45
35	A	316	299	0.04
36	A	268	254	0.01
37	A	241	228	0.01
38	A	152	144	0.36
39	A	63	60	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	2.175	-0.296	-0.417
H2	2.659	0.674	-0.578
H3	2.936	-0.996	-0.055
H4	1.814	-0.654	-1.386
C5	1.016	-0.174	0.581
H6	0.566	-1.158	0.741
H7	1.417	0.143	1.554
C8	-2.057	-0.681	-0.077
H9	-2.501	-0.924	-1.050
H10	-1.432	-1.524	0.226
H11	-2.885	-0.603	0.639
C12	-0.012	0.825	0.129
H13	0.366	1.841	0.003
C14	-1.298	0.613	-0.152
H15	-1.886	1.471	-0.478

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0959	1.0951	1.0949	1.5343	2.1619	2.1569	4.2629	4.7604	3.8641	5.1776	2.5175	2.8309	3.6003	4.4294
H2	1.0959		1.7712	1.7691	2.1820	3.0788	2.5243	4.9319	5.4222	4.7130	5.8172	2.7668	2.6372	3.9806	4.6153
H3	1.0951	1.7712		1.7745	2.1835	2.5062	2.4892	5.0031	5.5280	4.4090	5.8753	3.4701	3.8280	4.5311	5.4331
H4	1.0949	1.7691	1.7745		2.1767	2.5176	3.0723	4.0862	4.3363	3.7273	5.1164	2.7956	3.2010	3.5795	4.3621
C5	1.5343	2.1820	2.1835	2.1767		1.0945	1.0986	3.1833	3.9489	2.8181	3.9247	1.5035	2.1946	2.5525	3.5001
H6	2.1619	3.0788	2.5062	2.5176	1.0945		1.7546	2.7882	3.5588	2.0947	3.4961	2.1551	3.0953	2.7224	3.7963
H7	2.1569	2.5243	2.4892	3.0723	1.0986	1.7546		3.9246	4.8234	3.5573	4.4602	2.1306	2.5287	3.2411	4.0990
C8	4.2629	4.9319	5.0031	4.0862	3.1833	2.7882	3.9246		1.0968	1.0928	1.0969	2.5480	3.4980	1.5016	2.1958
H9	4.7604	5.4222	5.5280	4.3363	3.9489	3.5588	4.8234	1.0968		1.7698	1.7610	3.2626	4.1199	2.1481	2.5383
H10	3.8641	4.7130	4.4090	3.7273	2.8181	2.0947	3.5573	1.0928	1.7698		1.7691	2.7471	3.8219	2.1748	3.1106
H11	5.1776	5.8172	5.8753	5.1164	3.9247	3.4961	4.4602	1.0969	1.7610	1.7691		3.2484	4.1164	2.1494	2.5586
C12	2.5175	2.7668	3.4701	2.7956	1.5035	2.1551	2.1306	2.5480	3.2626	2.7471	3.2484		1.0909	1.3339	2.0729
H13	2.8309	2.6372	3.8280	3.2010	2.1946	3.0953	2.5287	3.4980	4.1199	3.8219	4.1164	1.0909		2.0743	2.3325
C14	3.6003	3.9806	4.5311	3.5795	2.5525	2.7224	3.2411	1.5016	2.1481	2.1748	2.1494	1.3339	2.0743		1.0898
H15	4.4294	4.6153	5.4331	4.3621	3.5001	3.7963	4.0990	2.1958	2.5383	3.1106	2.5586	2.0729	2.3325	1.0898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.517	C1	C5	H7	108.886
C1	C5	C12	111.937	H2	C1	H3	107.881
H2	C1	H4	107.709	H2	C1	C5	111.022
H3	C1	H4	108.247	H3	C1	C5	111.188
H4	C1	C5	110.660	C5	C12	H13	114.604
C5	C12	C14	128.110	H6	C5	H7	106.263
H6	C5	C12	111.121	H7	C5	C12	108.931
C8	C14	C12	127.854	C8	C14	H15	114.917
H9	C8	H10	107.852	H9	C8	H11	106.783
H9	C8	C14	110.555	H10	C8	H11	107.780
H10	C8	C14	112.967	H11	C8	C14	110.653
C12	C14	H15	117.230	H13	C12	C14	117.275

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

using model chemistry: wB97X-D/6-31G*

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	-0.492
2	H	0.162
3	H	0.163
4	H	0.169
5	C	-0.343
6	H	0.159
7	H	0.165
8	C	-0.540
9	H	0.174
10	H	0.170
11	H	0.175
12	C	-0.123
13	H	0.146
14	C	-0.134
15	H	0.150

	x	y	z	Total
	-0.023	-0.178	0.026	0.182
CHELPG
AIM
ESP

	x	y	z
x	10.524	0.382	0.692
y	0.382	7.287	-0.203
z	0.692	-0.203	6.031

<r²>	163.422
(<r²>)^1/2	12.784

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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