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	hartrees
Energy at 0K	-195.861155
Energy at 298.15K	-195.871220
HF Energy	-195.141311
Nuclear repulsion energy	171.211524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3013	58.49
2	A	3198	3000	4.11
3	A	3185	2988	43.12
4	A	3182	2985	22.35
5	A	3177	2981	12.58
6	A	3155	2960	20.89
7	A	3151	2957	6.90
8	A	3100	2909	24.83
9	A	3097	2906	20.95
10	A	3091	2900	26.77
11	A	1797	1686	1.23
12	A	1569	1472	8.88
13	A	1560	1464	3.66
14	A	1559	1463	4.11
15	A	1548	1452	3.42
16	A	1546	1450	3.74
17	A	1495	1403	6.26
18	A	1472	1381	2.34
19	A	1466	1375	1.76
20	A	1389	1303	4.73
21	A	1344	1261	0.13
22	A	1323	1241	0.15
23	A	1207	1133	0.54
24	A	1133	1063	4.17
25	A	1101	1033	0.80
26	A	1088	1021	0.07
27	A	1076	1009	1.83
28	A	1011	949	0.22
29	A	974	914	7.96
30	A	894	838	1.17
31	A	816	766	3.09
32	A	740	694	31.72
33	A	577	541	5.76
34	A	479	449	1.18
35	A	316	297	0.03
36	A	263	247	0.02
37	A	229	214	0.01
38	A	116	109	0.25
39	A	47	45	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	2.173	-0.297	-0.416
H2	2.660	0.671	-0.571
H3	2.928	-1.002	-0.056
H4	1.810	-0.649	-1.387
C5	1.016	-0.174	0.581
H6	0.557	-1.156	0.734
H7	1.413	0.140	1.555
C8	-2.054	-0.683	-0.075
H9	-2.490	-0.933	-1.049
H10	-1.421	-1.517	0.236
H11	-2.884	-0.603	0.637
C12	-0.009	0.830	0.128
H13	0.374	1.844	0.008
C14	-1.300	0.615	-0.154
H15	-1.896	1.467	-0.480

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0951	1.0947	1.0943	1.5324	2.1610	2.1574	4.2584	4.7479	3.8511	5.1740	2.5154	2.8285	3.5999	4.4357
H2	1.0951		1.7715	1.7694	2.1782	3.0760	2.5211	4.9300	5.4149	4.7007	5.8151	2.7637	2.6335	3.9821	4.6262
H3	1.0947	1.7715		1.7746	2.1796	2.5042	2.4892	4.9931	5.5090	4.3899	5.8670	3.4671	3.8251	4.5281	5.4368
H4	1.0943	1.7694	1.7746		2.1743	2.5146	3.0715	4.0807	4.3219	3.7186	5.1113	2.7906	3.1970	3.5755	4.3627
C5	1.5324	2.1782	2.1796	2.1743		1.0943	1.0980	3.1803	3.9397	2.8038	3.9233	1.5043	2.1938	2.5541	3.5070
H6	2.1610	3.0760	2.5042	2.5146	1.0943		1.7568	2.7742	3.5371	2.0717	3.4861	2.1515	3.0918	2.7148	3.7910
H7	2.1574	2.5211	2.4892	3.0715	1.0980	1.7568		3.9190	4.8132	3.5383	4.4563	2.1299	2.5252	3.2414	4.1056
C8	4.2584	4.9300	4.9931	4.0807	3.1803	2.7742	3.9190		1.0960	1.0922	1.0961	2.5518	3.5063	1.5034	2.1939
H9	4.7479	5.4149	5.5090	4.3219	3.9397	3.5371	4.8132	1.0960		1.7707	1.7630	3.2625	4.1273	2.1477	2.5371
H10	3.8511	4.7007	4.3899	3.7186	2.8038	2.0717	3.5383	1.0922	1.7707		1.7705	2.7408	3.8178	2.1706	3.1056
H11	5.1740	5.8151	5.8670	5.1113	3.9233	3.4861	4.4563	1.0961	1.7630	1.7705		3.2518	4.1232	2.1488	2.5512
C12	2.5154	2.7637	3.4671	2.7906	1.5043	2.1515	2.1299	2.5518	3.2625	2.7408	3.2518		1.0915	1.3383	2.0825
H13	2.8285	2.6335	3.8251	3.1970	2.1938	3.0918	2.5252	3.5063	4.1273	3.8178	4.1232	1.0915		2.0836	2.3531
C14	3.5999	3.9821	4.5281	3.5755	2.5541	2.7148	3.2414	1.5034	2.1477	2.1706	2.1488	1.3383	2.0836		1.0904
H15	4.4357	4.6262	5.4368	4.3627	3.5070	3.7910	4.1056	2.1939	2.5371	3.1056	2.5512	2.0825	2.3531	1.0904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.587	C1	C5	H7	109.083
C1	C5	C12	111.845	H2	C1	H3	107.995
H2	C1	H4	107.841	H2	C1	C5	110.896
H3	C1	H4	108.327	H3	C1	C5	111.027
H4	C1	C5	110.636	C5	C12	H13	114.435
C5	C12	C14	127.833	H6	C5	H7	106.522
H6	C5	C12	110.788	H7	C5	C12	108.855
C8	C14	C12	127.698	C8	C14	H15	114.591
H9	C8	H10	108.037	H9	C8	H11	107.078
H9	C8	C14	110.447	H10	C8	H11	108.013
H10	C8	C14	112.533	H11	C8	C14	110.534
C12	C14	H15	117.711	H13	C12	C14	117.726

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C5H10 (2-Pentene, (Z)-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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