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	hartrees
Energy at 0K	-195.208879
Energy at 298.15K	-195.219233
Nuclear repulsion energy	171.864601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	2984	56.18
2	A	3256	2958	19.44
3	A	3251	2954	24.59
4	A	3222	2927	42.18
5	A	3214	2920	52.45
6	A	3199	2907	11.65
7	A	3189	2897	29.80
8	A	3153	2865	7.56
9	A	3152	2864	66.94
10	A	3143	2856	34.71
11	A	1864	1694	4.25
12	A	1625	1477	6.42
13	A	1613	1466	4.05
14	A	1612	1465	3.50
15	A	1604	1458	4.88
16	A	1601	1455	3.80
17	A	1561	1419	3.75
18	A	1532	1392	1.85
19	A	1528	1389	1.49
20	A	1456	1323	10.22
21	A	1402	1274	0.06
22	A	1380	1254	0.04
23	A	1265	1149	0.11
24	A	1187	1078	4.76
25	A	1169	1063	5.70
26	A	1131	1028	0.06
27	A	1117	1014	0.85
28	A	1086	987	2.58
29	A	990	899	8.79
30	A	912	829	1.17
31	A	852	774	7.24
32	A	786	714	33.75
33	A	605	549	4.98
34	A	511	465	1.31
35	A	323	293	0.04
36	A	283	258	0.05
37	A	234	213	0.02
38	A	138	125	0.37
39	A	58	53	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.181	-0.292	-0.412
H2	2.653	0.671	-0.575
H3	2.937	-0.974	-0.041
H4	1.838	-0.659	-1.373
C5	1.018	-0.176	0.576
H6	0.580	-1.151	0.736
H7	1.408	0.148	1.538
C8	-2.065	-0.676	-0.077
H9	-2.504	-0.906	-1.043
H10	-1.459	-1.519	0.221
H11	-2.884	-0.585	0.629
C12	-0.017	0.816	0.124
H13	0.350	1.823	0.006
C14	-1.292	0.609	-0.149
H15	-1.869	1.462	-0.465

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0847	1.0841	1.0839	1.5305	2.1491	2.1435	4.2761	4.7669	3.8931	5.1790	2.5197	2.8286	3.5973	4.4142
H2	1.0847		1.7527	1.7517	2.1713	3.0554	2.5080	4.9314	5.4127	4.7264	5.8038	2.7642	2.6396	3.9680	4.5923
H3	1.0841	1.7527		1.7558	2.1684	2.4883	2.4680	5.0112	5.5335	4.4380	5.8726	3.4589	3.8105	4.5171	5.4057
H4	1.0839	1.7517	1.7558		2.1687	2.5041	3.0509	4.1119	4.3613	3.7617	5.1289	2.8033	3.2054	3.5915	4.3664
C5	1.5305	2.1713	2.1684	2.1687		1.0815	1.0871	3.1909	3.9447	2.8404	3.9238	1.5036	2.1832	2.5450	3.4792
H6	2.1491	3.0554	2.4883	2.5041	1.0815		1.7368	2.8076	3.5690	2.1351	3.5116	2.1457	3.0716	2.7179	3.7782
H7	2.1435	2.5080	2.4680	3.0509	1.0871	1.7368		3.9175	4.8036	3.5681	4.4477	2.1161	2.5045	3.2166	4.0596
C8	4.2761	4.9314	5.0112	4.1119	3.1909	2.8076	3.9175		1.0854	1.0799	1.0855	2.5417	3.4770	1.5020	2.1824
H9	4.7669	5.4127	5.5335	4.3613	3.9447	3.5690	4.8036	1.0854		1.7514	1.7443	3.2420	4.0861	2.1364	2.5187
H10	3.8931	4.7264	4.4380	3.7617	2.8404	2.1351	3.5681	1.0799	1.7514		1.7515	2.7464	3.8070	2.1670	3.0869
H11	5.1790	5.8038	5.8726	5.1289	3.9238	3.5116	4.4477	1.0855	1.7443	1.7515		3.2306	4.0807	2.1374	2.5339
C12	2.5197	2.7642	3.4589	2.8033	1.5036	2.1457	2.1161	2.5417	3.2420	2.7464	3.2306		1.0786	1.3195	2.0479
H13	2.8286	2.6396	3.8105	3.2054	2.1832	3.0716	2.5045	3.4770	4.0861	3.8070	4.0807	1.0786		2.0481	2.2978
C14	3.5973	3.9680	4.5171	3.5915	2.5450	2.7179	3.2166	1.5020	2.1364	2.1670	2.1374	1.3195	2.0481		1.0777
H15	4.4142	4.5923	5.4057	4.3664	3.4792	3.7782	4.0596	2.1824	2.5187	3.0869	2.5339	2.0479	2.2978	1.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.530	C1	C5	H7	108.769
C1	C5	C12	112.293	H2	C1	H3	107.827
H2	C1	H4	107.752	H2	C1	C5	111.103
H3	C1	H4	108.167	H3	C1	C5	110.906
H4	C1	C5	110.948	C5	C12	H13	114.448
C5	C12	C14	128.594	H6	C5	H7	106.431
H6	C5	C12	111.151	H7	C5	C12	108.463
C8	C14	C12	128.426	C8	C14	H15	114.563
H9	C8	H10	107.963	H9	C8	H11	106.935
H9	C8	C14	110.280	H10	C8	H11	107.962
H10	C8	C14	113.115	H11	C8	C14	110.354
C12	C14	H15	117.010	H13	C12	C14	116.956

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

using model chemistry: HF/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	-0.554
2	H	0.138
3	H	0.120
4	H	0.135
5	C	-0.016
6	H	0.093
7	H	0.118
8	C	-0.403
9	H	0.125
10	H	0.114
11	H	0.122
12	C	0.077
13	H	0.108
14	C	-0.283
15	H	0.105

	x	y	z	Total
	0.003	-0.281	0.069	0.289
CHELPG
AIM
ESP

	x	y	z
x	11.623	0.307	0.384
y	0.307	8.125	-0.018
z	0.384	-0.018	7.569

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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