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	hartrees
Energy at 0K	-196.482988
Energy at 298.15K	-196.493011
Nuclear repulsion energy	171.143016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3035	52.87
2	A	3138	3016	10.22
3	A	3129	3008	29.35
4	A	3126	3005	22.59
5	A	3120	3000	20.45
6	A	3089	2969	6.86
7	A	3085	2966	18.13
8	A	3042	2924	31.29
9	A	3031	2914	26.96
10	A	3023	2906	27.06
11	A	1748	1680	2.37
12	A	1500	1442	4.99
13	A	1492	1434	5.79
14	A	1487	1430	3.71
15	A	1475	1418	4.90
16	A	1471	1414	0.62
17	A	1433	1377	7.47
18	A	1399	1345	0.94
19	A	1395	1341	1.78
20	A	1327	1276	7.08
21	A	1298	1248	0.19
22	A	1273	1224	0.23
23	A	1167	1122	0.47
24	A	1089	1047	3.50
25	A	1057	1016	0.57
26	A	1044	1004	0.85
27	A	1042	1002	2.50
28	A	1015	976	0.41
29	A	944	908	11.72
30	A	868	835	1.68
31	A	790	759	3.37
32	A	723	695	25.55
33	A	568	546	6.68
34	A	471	453	1.27
35	A	300	288	0.03
36	A	257	247	0.02
37	A	216	207	0.00
38	A	144	138	0.33
39	A	57	55	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	2.198	-0.273	-0.407
H2	2.681	0.705	-0.510
H3	2.953	-0.983	-0.056
H4	1.872	-0.586	-1.404
C5	1.012	-0.203	0.561
H6	0.563	-1.196	0.665
H7	1.387	0.067	1.558
C8	-2.073	-0.667	-0.088
H9	-2.529	-0.886	-1.061
H10	-1.459	-1.525	0.195
H11	-2.899	-0.595	0.631
C12	-0.011	0.809	0.138
H13	0.374	1.825	0.039
C14	-1.301	0.615	-0.140
H15	-1.884	1.486	-0.440

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0955	1.0947	1.0945	1.5326	2.1623	2.1530	4.3011	4.8113	3.9121	5.2115	2.5189	2.8148	3.6196	4.4445
H2	1.0955		1.7691	1.7665	2.1814	3.0792	2.5217	4.9663	5.4756	4.7551	5.8422	2.7708	2.6222	4.0004	4.6318
H3	1.0947	1.7691		1.7726	2.1816	2.5061	2.4825	5.0365	5.5745	4.4527	5.9053	3.4691	3.8135	4.5454	5.4443
H4	1.0945	1.7665	1.7726		2.1790	2.5234	3.0720	4.1598	4.4247	3.8125	5.1870	2.8050	3.1841	3.6206	4.3965
C5	1.5326	2.1814	2.1816	2.1790		1.0946	1.0995	3.1864	3.9544	2.8262	3.9311	1.4995	2.1884	2.5514	3.4983
H6	2.1623	3.0792	2.5061	2.5234	1.0946		1.7530	2.7920	3.5547	2.1018	3.5136	2.1507	3.0902	2.7204	3.7944
H7	2.1530	2.5217	2.4825	3.0720	1.0995	1.7530		3.9020	4.8075	3.5351	4.4354	2.1269	2.5340	3.2270	4.0875
C8	4.3011	4.9663	5.0365	4.1598	3.1864	2.7920	3.9020		1.0971	1.0923	1.0973	2.5459	3.4950	1.4971	2.1892
H9	4.8113	5.4756	5.5745	4.4247	3.9544	3.5547	4.8075	1.0971		1.7693	1.7568	3.2639	4.1222	2.1471	2.5354
H10	3.9121	4.7551	4.4527	3.8125	2.8262	2.1018	3.5351	1.0923	1.7693		1.7683	2.7471	3.8217	2.1714	3.1058
H11	5.2115	5.8422	5.9053	5.1870	3.9311	3.5136	4.4354	1.0973	1.7568	1.7683		3.2491	4.1137	2.1477	2.5512
C12	2.5189	2.7708	3.4691	2.8050	1.4995	2.1507	2.1269	2.5459	3.2639	2.7471	3.2491		1.0909	1.3340	2.0737
H13	2.8148	2.6222	3.8135	3.1841	2.1884	3.0902	2.5340	3.4950	4.1222	3.8217	4.1137	1.0909		2.0745	2.3336
C14	3.6196	4.0004	4.5454	3.6206	2.5514	2.7204	3.2270	1.4971	2.1471	2.1714	2.1477	1.3340	2.0745		1.0899
H15	4.4445	4.6318	5.4443	4.3965	3.4983	3.7944	4.0875	2.1892	2.5354	3.1058	2.5512	2.0737	2.3336	1.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.651	C1	C5	H7	108.648
C1	C5	C12	112.347	H2	C1	H3	107.752
H2	C1	H4	107.533	H2	C1	C5	111.108
H3	C1	H4	108.136	H3	C1	C5	111.178
H4	C1	C5	110.978	C5	C12	H13	114.376
C5	C12	C14	128.338	H6	C5	H7	106.063
H6	C5	C12	111.041	H7	C5	C12	108.864
C8	C14	C12	128.026	C8	C14	H15	114.692
H9	C8	H10	107.826	H9	C8	H11	106.365
H9	C8	C14	110.773	H10	C8	H11	107.722
H10	C8	C14	113.051	H11	C8	C14	110.811
C12	C14	H15	117.281	H13	C12	C14	117.281

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.432
2	H	0.138
3	H	0.136
4	H	0.144
5	C	-0.278
6	H	0.125
7	H	0.132
8	C	-0.491
9	H	0.148
10	H	0.144
11	H	0.149
12	C	-0.057
13	H	0.106
14	C	-0.073
15	H	0.110

	x	y	z	Total
	-0.019	-0.207	0.040	0.211
CHELPG
AIM
ESP

	x	y	z
x	11.102	0.296	0.618
y	0.296	7.619	-0.152
z	0.618	-0.152	6.390

<r²>	165.372
(<r²>)^1/2	12.860

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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