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	hartrees
Energy at 0K	-195.168155
Energy at 298.15K	-195.178502
Nuclear repulsion energy	171.652322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	2985	66.07
2	A	3270	2961	18.02
3	A	3264	2956	23.57
4	A	3239	2933	48.10
5	A	3233	2928	47.09
6	A	3217	2913	6.87
7	A	3205	2902	34.17
8	A	3164	2865	22.04
9	A	3161	2863	48.23
10	A	3156	2858	40.51
11	A	1891	1712	1.68
12	A	1626	1472	4.29
13	A	1615	1462	4.29
14	A	1613	1461	1.68
15	A	1604	1453	3.16
16	A	1601	1450	2.24
17	A	1561	1414	3.06
18	A	1533	1388	0.85
19	A	1528	1384	2.13
20	A	1455	1318	12.90
21	A	1404	1271	0.05
22	A	1381	1251	0.04
23	A	1263	1144	0.13
24	A	1187	1074	4.36
25	A	1170	1060	2.86
26	A	1129	1023	0.02
27	A	1122	1016	0.48
28	A	1087	984	2.26
29	A	991	897	7.51
30	A	912	826	1.23
31	A	852	771	5.17
32	A	789	715	23.18
33	A	604	547	5.28
34	A	511	463	1.06
35	A	323	293	0.04
36	A	282	255	0.03
37	A	234	212	0.01
38	A	141	127	0.21
39	A	59	54	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	2.184	-0.291	-0.414
H2	2.658	0.674	-0.571
H3	2.941	-0.978	-0.047
H4	1.838	-0.651	-1.378
C5	1.020	-0.178	0.577
H6	0.582	-1.156	0.735
H7	1.411	0.143	1.542
C8	-2.069	-0.675	-0.078
H9	-2.509	-0.904	-1.046
H10	-1.465	-1.521	0.223
H11	-2.892	-0.583	0.627
C12	-0.018	0.815	0.125
H13	0.355	1.823	0.008
C14	-1.291	0.610	-0.149
H15	-1.871	1.464	-0.465

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0867	1.0860	1.0859	1.5326	2.1520	2.1467	4.2834	4.7743	3.9028	5.1895	2.5221	2.8269	3.5998	4.4187
H2	1.0867		1.7560	1.7547	2.1743	3.0600	2.5102	4.9407	5.4232	4.7381	5.8154	2.7688	2.6386	3.9727	4.5991
H3	1.0860	1.7560		1.7594	2.1723	2.4905	2.4736	5.0191	5.5406	4.4473	5.8846	3.4637	3.8123	4.5213	5.4122
H4	1.0859	1.7547	1.7594		2.1713	2.5085	3.0554	4.1173	4.3660	3.7717	5.1373	2.8021	3.2000	3.5904	4.3658
C5	1.5326	2.1743	2.1723	2.1713		1.0836	1.0891	3.1970	3.9516	2.8472	3.9332	1.5056	2.1833	2.5475	3.4843
H6	2.1520	3.0600	2.4905	2.5085	1.0836		1.7398	2.8151	3.5764	2.1420	3.5232	2.1491	3.0747	2.7224	3.7849
H7	2.1467	2.5102	2.4736	3.0554	1.0891	1.7398		3.9254	4.8127	3.5754	4.4589	2.1213	2.5076	3.2218	4.0679
C8	4.2834	4.9407	5.0191	4.1173	3.1970	2.8151	3.9254		1.0876	1.0821	1.0877	2.5438	3.4816	1.5036	2.1822
H9	4.7743	5.4232	5.5406	4.3660	3.9516	3.5764	4.8127	1.0876		1.7547	1.7469	3.2457	4.0925	2.1403	2.5203
H10	3.9028	4.7381	4.4473	3.7717	2.8472	2.1420	3.5754	1.0821	1.7547		1.7548	2.7499	3.8127	2.1698	3.0895
H11	5.1895	5.8154	5.8846	5.1373	3.9332	3.5232	4.4589	1.0877	1.7469	1.7548		3.2352	4.0877	2.1414	2.5342
C12	2.5221	2.7688	3.4637	2.8021	1.5056	2.1491	2.1213	2.5438	3.2457	2.7499	3.2352		1.0804	1.3189	2.0506
H13	2.8269	2.6386	3.8123	3.2000	2.1833	3.0747	2.5076	3.4816	4.0925	3.8127	4.0877	1.0804		2.0507	2.3041
C14	3.5998	3.9727	4.5213	3.5904	2.5475	2.7224	3.2218	1.5036	2.1403	2.1698	2.1414	1.3189	2.0507		1.0795
H15	4.4187	4.5991	5.4122	4.3658	3.4843	3.7849	4.0679	2.1822	2.5203	3.0895	2.5342	2.0506	2.3041	1.0795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.488	C1	C5	H7	108.749
C1	C5	C12	112.223	H2	C1	H3	107.847
H2	C1	H4	107.739	H2	C1	C5	111.079
H3	C1	H4	108.203	H3	C1	C5	110.953
H4	C1	C5	110.885	C5	C12	H13	114.185
C5	C12	C14	128.708	H6	C5	H7	106.403
H6	C5	C12	111.158	H7	C5	C12	108.619
C8	C14	C12	128.530	C8	C14	H15	114.301
H9	C8	H10	107.943	H9	C8	H11	106.849
H9	C8	C14	110.349	H10	C8	H11	107.941
H10	C8	C14	113.089	H11	C8	C14	110.432
C12	C14	H15	117.169	H13	C12	C14	117.105

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

using model chemistry: HF/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	-0.406
2	H	0.131
3	H	0.131
4	H	0.136
5	C	-0.254
6	H	0.127
7	H	0.128
8	C	-0.440
9	H	0.140
10	H	0.140
11	H	0.141
12	C	-0.108
13	H	0.123
14	C	-0.114
15	H	0.125

	x	y	z	Total
	-0.015	-0.170	0.041	0.175
CHELPG
AIM
ESP

	x	y	z
x	10.604	0.337	0.612
y	0.337	7.225	-0.119
z	0.612	-0.119	6.204

<r²>	164.977
(<r²>)^1/2	12.844

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

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

States and conformations

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