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	hartrees
Energy at 0K	-196.485356
Energy at 298.15K	-196.495412
Nuclear repulsion energy	171.266106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3023	59.26
2	A	3169	3005	10.84
3	A	3160	2997	32.89
4	A	3157	2994	23.60
5	A	3150	2987	25.36
6	A	3121	2959	7.20
7	A	3117	2956	21.58
8	A	3074	2915	33.11
9	A	3064	2905	28.08
10	A	3055	2897	30.82
11	A	1775	1683	2.09
12	A	1540	1461	6.72
13	A	1531	1452	7.03
14	A	1528	1449	4.15
15	A	1516	1438	6.42
16	A	1513	1435	0.98
17	A	1466	1390	7.69
18	A	1439	1364	1.85
19	A	1433	1359	1.92
20	A	1356	1286	6.65
21	A	1321	1252	0.24
22	A	1297	1230	0.29
23	A	1190	1128	0.82
24	A	1110	1052	3.73
25	A	1077	1021	0.45
26	A	1066	1010	0.17
27	A	1058	1003	3.23
28	A	1021	968	0.28
29	A	960	910	11.79
30	A	883	837	1.81
31	A	803	761	3.58
32	A	730	692	32.76
33	A	574	545	7.13
34	A	475	451	1.45
35	A	306	291	0.03
36	A	260	247	0.02
37	A	221	210	0.01
38	A	142	135	0.38
39	A	57	54	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.186	-0.283	-0.410
H2	2.671	0.691	-0.538
H3	2.943	-0.988	-0.055
H4	1.847	-0.615	-1.396
C5	1.013	-0.190	0.568
H6	0.562	-1.179	0.695
H7	1.399	0.099	1.556
C8	-2.065	-0.672	-0.083
H9	-2.513	-0.906	-1.056
H10	-1.446	-1.522	0.213
H11	-2.894	-0.598	0.632
C12	-0.010	0.816	0.134
H13	0.371	1.832	0.026
C14	-1.301	0.613	-0.146
H15	-1.885	1.479	-0.456

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0950	1.0943	1.0939	1.5305	2.1595	2.1517	4.2816	4.7838	3.8882	5.1952	2.5153	2.8206	3.6098	4.4364
H2	1.0950		1.7684	1.7662	2.1792	3.0764	2.5204	4.9491	5.4486	4.7339	5.8304	2.7667	2.6285	3.9916	4.6245
H3	1.0943	1.7684		1.7722	2.1795	2.5038	2.4816	5.0184	5.5478	4.4300	5.8901	3.4659	3.8177	4.5370	5.4371
H4	1.0939	1.7662	1.7722		2.1758	2.5184	3.0694	4.1270	4.3826	3.7757	5.1561	2.7992	3.1915	3.6026	4.3813
C5	1.5305	2.1792	2.1795	2.1758		1.0940	1.0987	3.1830	3.9475	2.8192	3.9285	1.4994	2.1897	2.5513	3.4980
H6	2.1595	3.0764	2.5038	2.5184	1.0940		1.7529	2.7863	3.5490	2.0937	3.5047	2.1497	3.0899	2.7182	3.7917
H7	2.1517	2.5204	2.4816	3.0694	1.0987	1.7529		3.9088	4.8096	3.5390	4.4460	2.1267	2.5302	3.2325	4.0915
C8	4.2816	4.9491	5.0184	4.1270	3.1830	2.7863	3.9088		1.0965	1.0918	1.0966	2.5462	3.4949	1.4968	2.1900
H9	4.7838	5.4486	5.5478	4.3826	3.9475	3.5490	4.8096	1.0965		1.7681	1.7575	3.2623	4.1207	2.1461	2.5374
H10	3.8882	4.7339	4.4300	3.7757	2.8192	2.0937	3.5390	1.0918	1.7681		1.7674	2.7445	3.8187	2.1698	3.1050
H11	5.1952	5.8304	5.8901	5.1561	3.9285	3.5047	4.4460	1.0966	1.7575	1.7674		3.2498	4.1143	2.1469	2.5517
C12	2.5153	2.7667	3.4659	2.7992	1.4994	2.1497	2.1267	2.5462	3.2623	2.7445	3.2498		1.0904	1.3358	2.0745
H13	2.8206	2.6285	3.8177	3.1915	2.1897	3.0899	2.5302	3.4949	4.1207	3.8187	4.1143	1.0904		2.0756	2.3341
C14	3.6098	3.9916	4.5370	3.6026	2.5513	2.7182	3.2325	1.4968	2.1461	2.1698	2.1469	1.3358	2.0756		1.0894
H15	4.4364	4.6245	5.4371	4.3813	3.4980	3.7917	4.0915	2.1900	2.5374	3.1050	2.5517	2.0745	2.3341	1.0894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.612	C1	C5	H7	108.738
C1	C5	C12	112.225	H2	C1	H3	107.749
H2	C1	H4	107.579	H2	C1	C5	111.111
H3	C1	H4	108.160	H3	C1	C5	111.183
H4	C1	C5	110.906	C5	C12	H13	114.537
C5	C12	C14	128.189	H6	C5	H7	106.143
H6	C5	C12	111.009	H7	C5	C12	108.903
C8	C14	C12	127.931	C8	C14	H15	114.823
H9	C8	H10	107.795	H9	C8	H11	106.515
H9	C8	C14	110.754	H10	C8	H11	107.724
H10	C8	C14	112.969	H11	C8	C14	110.806
C12	C14	H15	117.246	H13	C12	C14	117.269

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

using model chemistry: mPW1PW91/6-31G*

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	-0.515
2	H	0.170
3	H	0.170
4	H	0.177
5	C	-0.366
6	H	0.169
7	H	0.174
8	C	-0.565
9	H	0.181
10	H	0.179
11	H	0.182
12	C	-0.123
13	H	0.150
14	C	-0.137
15	H	0.154

	x	y	z	Total
	-0.025	-0.191	0.032	0.195
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	164.820
(<r²>)^1/2	12.838

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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