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	hartrees
Energy at 0K	-195.731727
Energy at 298.15K	-195.741912
HF Energy	-195.142015
Nuclear repulsion energy	171.631593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3272	3029	62.29
2	A	3256	3015	6.78
3	A	3243	3002	27.58
4	A	3235	2995	33.58
5	A	3229	2989	31.88
6	A	3208	2970	4.81
7	A	3205	2968	25.39
8	A	3154	2920	17.82
9	A	3151	2917	36.04
10	A	3146	2912	32.58
11	A	1850	1713	1.32
12	A	1603	1484	7.40
13	A	1593	1475	4.87
14	A	1592	1474	2.63
15	A	1582	1464	3.66
16	A	1579	1462	3.43
17	A	1531	1418	4.82
18	A	1508	1396	1.98
19	A	1500	1389	1.83
20	A	1423	1317	6.88
21	A	1375	1273	0.09
22	A	1353	1252	0.13
23	A	1237	1145	0.41
24	A	1161	1074	4.59
25	A	1133	1049	1.21
26	A	1112	1029	0.04
27	A	1094	1013	2.01
28	A	1062	984	0.29
29	A	991	917	7.77
30	A	910	843	1.21
31	A	835	773	3.99
32	A	765	708	30.93
33	A	591	547	5.64
34	A	493	457	1.14
35	A	320	296	0.03
36	A	272	251	0.03
37	A	232	214	0.01
38	A	122	113	0.24
39	A	52	48	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	2.172	-0.294	-0.416
H2	2.654	0.671	-0.572
H3	2.929	-0.991	-0.057
H4	1.814	-0.648	-1.382
C5	1.017	-0.176	0.579
H6	0.569	-1.155	0.736
H7	1.413	0.140	1.548
C8	-2.058	-0.677	-0.077
H9	-2.495	-0.919	-1.046
H10	-1.440	-1.517	0.230
H11	-2.884	-0.593	0.632
C12	-0.011	0.822	0.128
H13	0.365	1.833	0.009
C14	-1.294	0.612	-0.152
H15	-1.879	1.466	-0.474

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0902	1.0898	1.0894	1.5291	2.1536	2.1496	4.2606	4.7510	3.8675	5.1715	2.5112	2.8227	3.5920	4.4174
H2	1.0902		1.7620	1.7605	2.1730	3.0650	2.5137	4.9256	5.4097	4.7104	5.8058	2.7592	2.6310	3.9703	4.6030
H3	1.0898	1.7620		1.7654	2.1742	2.4958	2.4810	4.9970	5.5145	4.4101	5.8671	3.4591	3.8146	4.5181	5.4159
H4	1.0894	1.7605	1.7654		2.1689	2.5089	3.0604	4.0861	4.3309	3.7338	5.1113	2.7873	3.1914	3.5719	4.3510
C5	1.5291	2.1730	2.1742	2.1689		1.0884	1.0931	3.1836	3.9409	2.8208	3.9230	1.5017	2.1870	2.5484	3.4917
H6	2.1536	3.0650	2.4958	2.5089	1.0884		1.7459	2.7905	3.5526	2.1027	3.4992	2.1478	3.0816	2.7164	3.7850
H7	2.1496	2.5137	2.4810	3.0604	1.0931	1.7459		3.9181	4.8089	3.5524	4.4536	2.1236	2.5163	3.2309	4.0848
C8	4.2606	4.9256	4.9970	4.0861	3.1836	2.7905	3.9181		1.0911	1.0865	1.0912	2.5451	3.4900	1.5003	2.1871
H9	4.7510	5.4097	5.5145	4.3309	3.9409	3.5526	4.8089	1.0911		1.7607	1.7533	3.2527	4.1074	2.1418	2.5288
H10	3.8675	4.7104	4.4101	3.7338	2.8208	2.1027	3.5524	1.0865	1.7607		1.7606	2.7424	3.8116	2.1675	3.0960
H11	5.1715	5.8058	5.8671	5.1113	3.9230	3.4992	4.4536	1.0912	1.7533	1.7606		3.2413	4.1021	2.1429	2.5437
C12	2.5112	2.7592	3.4591	2.7873	1.5017	2.1478	2.1236	2.5451	3.2527	2.7424	3.2413		1.0855	1.3296	2.0658
H13	2.8227	2.6310	3.8146	3.1914	2.1870	3.0816	2.5163	3.4900	4.1074	3.8116	4.1021	1.0855		2.0665	2.3253
C14	3.5920	3.9703	4.5181	3.5719	2.5484	2.7164	3.2309	1.5003	2.1418	2.1675	2.1429	1.3296	2.0665		1.0845
H15	4.4174	4.6030	5.4159	4.3510	3.4917	3.7850	4.0848	2.1871	2.5288	3.0960	2.5437	2.0658	2.3253	1.0845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.581	C1	C5	H7	108.994
C1	C5	C12	111.901	H2	C1	H3	107.853
H2	C1	H4	107.752	H2	C1	C5	111.014
H3	C1	H4	108.215	H3	C1	C5	111.136
H4	C1	C5	110.736	C5	C12	H13	114.461
C5	C12	C14	128.232	H6	C5	H7	106.319
H6	C5	C12	111.036	H7	C5	C12	108.831
C8	C14	C12	128.046	C8	C14	H15	114.634
H9	C8	H10	107.904	H9	C8	H11	106.907
H9	C8	C14	110.483	H10	C8	H11	107.889
H10	C8	C14	112.861	H11	C8	C14	110.565
C12	C14	H15	117.320	H13	C12	C14	117.302

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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