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	hartrees
Energy at 0K	-196.072086
Energy at 298.15K	-196.082127
HF Energy	-195.212293
Nuclear repulsion energy	172.190737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3034	41.24
2	A	3179	3018	4.93
3	A	3167	3007	31.82
4	A	3163	3003	17.98
5	A	3160	3000	12.59
6	A	3136	2978	12.78
7	A	3135	2977	3.73
8	A	3077	2922	23.02
9	A	3071	2916	20.22
10	A	3070	2915	26.34
11	A	1721	1634	2.58
12	A	1521	1444	6.72
13	A	1514	1437	6.63
14	A	1511	1435	3.43
15	A	1499	1424	5.53
16	A	1494	1419	1.42
17	A	1443	1370	6.86
18	A	1409	1338	2.21
19	A	1405	1334	1.92
20	A	1336	1269	3.41
21	A	1305	1239	0.07
22	A	1280	1216	0.03
23	A	1177	1118	0.29
24	A	1100	1044	3.98
25	A	1066	1012	1.84
26	A	1054	1001	0.22
27	A	1052	999	2.04
28	A	1005	954	0.29
29	A	951	903	9.75
30	A	876	832	1.03
31	A	796	756	2.58
32	A	731	694	34.06
33	A	562	534	4.93
34	A	478	454	1.42
35	A	311	296	0.05
36	A	258	245	0.02
37	A	226	214	0.01
38	A	124	118	0.31
39	A	44	42	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	2.155	-0.299	-0.417
H2	2.637	0.665	-0.577
H3	2.910	-0.998	-0.060
H4	1.788	-0.652	-1.380
C5	1.006	-0.172	0.583
H6	0.544	-1.146	0.738
H7	1.407	0.145	1.548
C8	-2.034	-0.685	-0.074
H9	-2.463	-0.940	-1.043
H10	-1.397	-1.508	0.241
H11	-2.861	-0.609	0.632
C12	-0.007	0.832	0.128
H13	0.372	1.842	0.006
C14	-1.295	0.614	-0.157
H15	-1.886	1.463	-0.486

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0895	1.0891	1.0889	1.5280	2.1556	2.1491	4.2205	4.7044	3.8091	5.1342	2.4998	2.8184	3.5785	4.4088
H2	1.0895		1.7628	1.7603	2.1691	3.0642	2.5102	4.8882	5.3673	4.6543	5.7722	2.7416	2.6188	3.9552	4.5940
H3	1.0891	1.7628		1.7661	2.1722	2.5011	2.4800	4.9535	5.4626	4.3470	5.8255	3.4482	3.8097	4.5047	5.4071
H4	1.0889	1.7603	1.7661		2.1662	2.5054	3.0582	4.0391	4.2746	3.6745	5.0663	2.7745	3.1856	3.5507	4.3324
C5	1.5280	2.1691	2.1722	2.1662		1.0891	1.0924	3.1524	3.9079	2.7709	3.8926	1.4968	2.1891	2.5421	3.4900
H6	2.1556	3.0642	2.5011	2.5054	1.0891		1.7511	2.7417	3.5014	2.0361	3.4491	2.1415	3.0812	2.6985	3.7693
H7	2.1491	2.5102	2.4800	3.0582	1.0924	1.7511		3.8938	4.7826	3.5078	4.4304	2.1185	2.5164	3.2297	4.0893
C8	4.2205	4.8882	4.9535	4.0391	3.1524	2.7417	3.8938		1.0903	1.0870	1.0904	2.5400	3.4905	1.4972	2.1921
H9	4.7044	5.3673	5.4626	4.2746	3.9079	3.5014	4.7826	1.0903		1.7629	1.7533	3.2475	4.1087	2.1369	2.5329
H10	3.8091	4.6543	4.3470	3.6745	2.7709	2.0361	3.5078	1.0870	1.7629		1.7627	2.7239	3.7959	2.1617	3.0971
H11	5.1342	5.7722	5.8255	5.0663	3.8926	3.4491	4.4304	1.0904	1.7533	1.7627		3.2369	4.1053	2.1380	2.5479
C12	2.4998	2.7416	3.4482	2.7745	1.4968	2.1415	2.1185	2.5400	3.2475	2.7239	3.2369		1.0861	1.3374	2.0754
H13	2.8184	2.6188	3.8097	3.1856	2.1891	3.0812	2.5164	3.4905	4.1087	3.7959	4.1053	1.0861		2.0770	2.3421
C14	3.5785	3.9552	4.5047	3.5507	2.5421	2.6985	3.2297	1.4972	2.1369	2.1617	2.1380	1.3374	2.0770		1.0849
H15	4.4088	4.5940	5.4071	4.3324	3.4900	3.7693	4.0893	2.1921	2.5329	3.0971	2.5479	2.0754	2.3421	1.0849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.764	C1	C5	H7	109.063
C1	C5	C12	111.465	H2	C1	H3	108.017
H2	C1	H4	107.815	H2	C1	C5	110.810
H3	C1	H4	108.369	H3	C1	C5	111.088
H4	C1	C5	110.623	C5	C12	H13	114.965
C5	C12	C14	127.431	H6	C5	H7	106.779
H6	C5	C12	110.829	H7	C5	C12	108.808
C8	C14	C12	127.198	C8	C14	H15	115.265
H9	C8	H10	108.128	H9	C8	H11	107.034
H9	C8	C14	110.361	H10	C8	H11	108.104
H10	C8	C14	112.580	H11	C8	C14	110.438
C12	C14	H15	117.537	H13	C12	C14	117.595

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

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

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