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	hartrees
Energy at 0K	-196.476651
Energy at 298.15K	-196.486544
HF Energy	-196.476651
Nuclear repulsion energy	171.178034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3079	3039	62.02
2	A	3058	3018	16.78
3	A	3049	3010	25.88
4	A	3042	3003	34.57
5	A	3038	2998	33.31
6	A	3012	2973	4.56
7	A	3000	2961	21.62
8	A	2969	2930	40.17
9	A	2959	2921	36.76
10	A	2951	2913	32.51
11	A	1678	1656	4.70
12	A	1479	1460	6.56
13	A	1469	1450	5.72
14	A	1467	1448	2.77
15	A	1454	1435	5.61
16	A	1453	1434	1.96
17	A	1406	1387	8.51
18	A	1379	1361	1.27
19	A	1373	1355	2.00
20	A	1305	1288	5.14
21	A	1274	1257	0.22
22	A	1253	1236	0.07
23	A	1147	1132	0.32
24	A	1066	1052	4.05
25	A	1036	1022	1.91
26	A	1028	1014	0.07
27	A	1002	988	4.08
28	A	982	969	0.54
29	A	917	905	12.20
30	A	847	836	1.11
31	A	780	770	3.11
32	A	704	695	34.58
33	A	560	552	5.28
34	A	468	462	1.57
35	A	301	297	0.05
36	A	254	251	0.03
37	A	211	209	0.01
38	A	119	118	0.39
39	A	42	41	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.150	-0.333	-0.423
H2	2.630	0.618	-0.677
H3	2.921	-1.006	-0.032
H4	1.757	-0.764	-1.350
C5	1.021	-0.124	0.601
H6	0.567	-1.089	0.849
H7	1.457	0.260	1.534
C8	-2.034	-0.698	-0.056
H9	-2.469	-0.986	-1.021
H10	-1.396	-1.518	0.282
H11	-2.871	-0.610	0.649
C12	-0.013	0.848	0.111
H13	0.353	1.864	-0.047
C14	-1.299	0.605	-0.175
H15	-1.898	1.442	-0.537

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0958	1.0954	1.0950	1.5390	2.1671	2.1596	4.2159	4.7036	3.8051	5.1421	2.5224	2.8633	3.5831	4.4220
H2	1.0958		1.7719	1.7681	2.1853	3.0824	2.5285	4.8859	5.3573	4.6581	5.7909	2.7683	2.6707	3.9611	4.6050
H3	1.0954	1.7719		1.7754	2.1881	2.5144	2.4894	4.9644	5.4803	4.3588	5.8455	3.4740	3.8509	4.5192	5.4288
H4	1.0950	1.7681	1.7754		2.1812	2.5216	3.0753	4.0061	4.2448	3.6299	5.0437	2.8048	3.2514	3.5486	4.3457
C5	1.5390	2.1853	2.1881	2.1812		1.0946	1.0995	3.1768	3.9442	2.8083	3.9227	1.5019	2.1953	2.5527	3.5029
H6	2.1671	3.0824	2.5144	2.5216	1.0946		1.7555	2.7819	3.5681	2.0884	3.4777	2.1529	3.0936	2.7209	3.7956
H7	2.1596	2.5285	2.4894	3.0753	1.0995	1.7555		3.9540	4.8480	3.5878	4.5032	2.1294	2.5083	3.2615	4.1167
C8	4.2159	4.8859	4.9644	4.0061	3.1768	2.7819	3.9540		1.0977	1.0925	1.0979	2.5493	3.5014	1.5007	2.1969
H9	4.7036	5.3573	5.4803	4.2448	3.9442	3.5681	4.8480	1.0977		1.7700	1.7584	3.2678	4.1280	2.1494	2.5408
H10	3.8051	4.6581	4.3588	3.6299	2.8083	2.0884	3.5878	1.0925	1.7700		1.7702	2.7457	3.8217	2.1740	3.1115
H11	5.1421	5.7909	5.8455	5.0437	3.9227	3.4777	4.5032	1.0979	1.7584	1.7702		3.2530	4.1234	2.1513	2.5616
C12	2.5224	2.7683	3.4740	2.8048	1.5019	2.1529	2.1294	2.5493	3.2678	2.7457	3.2530		1.0916	1.3390	2.0797
H13	2.8633	2.6707	3.8509	3.2514	2.1953	3.0936	2.5083	3.5014	4.1280	3.8217	4.1234	1.0916		2.0808	2.3427
C14	3.5831	3.9611	4.5192	3.5486	2.5527	2.7209	3.2615	1.5007	2.1494	2.1740	2.1513	1.3390	2.0808		1.0908
H15	4.4220	4.6050	5.4288	4.3457	3.5029	3.7956	4.1167	2.1969	2.5408	3.1115	2.5616	2.0797	2.3427	1.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.649	C1	C5	H7	108.818
C1	C5	C12	112.135	H2	C1	H3	107.836
H2	C1	H4	107.601	H2	C1	C5	111.039
H3	C1	H4	108.205	H3	C1	C5	111.295
H4	C1	C5	110.720	C5	C12	H13	114.702
C5	C12	C14	127.988	H6	C5	H7	106.200
H6	C5	C12	111.003	H7	C5	C12	108.834
C8	C14	C12	127.697	C8	C14	H15	115.037
H9	C8	H10	107.870	H9	C8	H11	106.539
H9	C8	C14	110.664	H10	C8	H11	107.805
H10	C8	C14	112.971	H11	C8	C14	110.723
C12	C14	H15	117.266	H13	C12	C14	117.295

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.545
2	H	0.133
3	H	0.118
4	H	0.131
5	C	0.048
6	H	0.091
7	H	0.117
8	C	-0.360
9	H	0.122
10	H	0.108
11	H	0.119
12	C	-0.022
13	H	0.098
14	C	-0.257
15	H	0.099

	x	y	z	Total
	-0.006	-0.298	0.071	0.306
CHELPG
AIM
ESP

	x	y	z
x	12.734	0.314	0.369
y	0.314	9.046	-0.074
z	0.369	-0.074	8.223

<r²>	164.180
(<r²>)^1/2	12.813

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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