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	hartrees
Energy at 0K	-195.472085
Energy at 298.15K	-195.482216
Nuclear repulsion energy	170.786384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3045	57.32
2	A	3135	3025	9.57
3	A	3129	3019	30.92
4	A	3122	3012	18.33
5	A	3114	3005	20.50
6	A	3096	2988	3.26
7	A	3075	2967	21.46
8	A	3050	2943	27.40
9	A	3038	2932	18.20
10	A	3037	2930	29.15
11	A	1733	1673	0.77
12	A	1572	1517	8.19
13	A	1566	1511	7.33
14	A	1563	1508	5.39
15	A	1557	1502	6.61
16	A	1546	1492	2.33
17	A	1474	1422	7.05
18	A	1465	1413	5.62
19	A	1454	1403	2.02
20	A	1370	1322	1.84
21	A	1341	1294	0.82
22	A	1322	1276	0.55
23	A	1197	1155	2.33
24	A	1121	1082	4.83
25	A	1103	1064	0.04
26	A	1082	1044	0.46
27	A	1031	995	0.45
28	A	1007	972	3.98
29	A	936	904	11.42
30	A	868	837	1.98
31	A	814	786	4.79
32	A	734	708	39.77
33	A	585	564	7.41
34	A	486	468	1.89
35	A	314	303	0.04
36	A	262	253	0.06
37	A	223	216	0.02
38	A	140	135	0.36
39	A	59	57	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	2.163	-0.316	-0.429
H2	2.640	0.651	-0.627
H3	2.927	-1.007	-0.057
H4	1.769	-0.702	-1.375
C5	1.016	-0.154	0.603
H6	0.557	-1.128	0.794
H7	1.443	0.197	1.553
C8	-2.043	-0.695	-0.066
H9	-2.451	-0.983	-1.045
H10	-1.406	-1.508	0.290
H11	-2.893	-0.600	0.622
C12	-0.014	0.844	0.124
H13	0.370	1.855	-0.009
C14	-1.298	0.616	-0.169
H15	-1.899	1.453	-0.522

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0960	1.0957	1.0947	1.5518	2.1765	2.1706	4.2389	4.7026	3.8308	5.1724	2.5281	2.8462	3.5933	4.4313
H2	1.0960		1.7769	1.7745	2.1906	3.0864	2.5283	4.9050	5.3632	4.6765	5.8090	2.7652	2.6421	3.9643	4.6104
H3	1.0957	1.7769		1.7804	2.1950	2.5214	2.4993	4.9802	5.4681	4.3755	5.8742	3.4803	3.8382	4.5272	5.4369
H4	1.0947	1.7745	1.7804		2.1861	2.5209	3.0801	4.0303	4.2421	3.6739	5.0729	2.7955	3.2181	3.5485	4.3385
C5	1.5518	2.1906	2.1950	2.1861		1.0941	1.0993	3.1780	3.9272	2.7922	3.9347	1.5121	2.1971	2.5577	3.5133
H6	2.1765	3.0864	2.5214	2.5209	1.0941		1.7658	2.7733	3.5288	2.0619	3.4949	2.1602	3.0956	2.7224	3.7984
H7	2.1706	2.5283	2.4993	3.0801	1.0993	1.7658		3.9465	4.8278	3.5524	4.5065	2.1416	2.5186	3.2644	4.1297
C8	4.2389	4.9050	4.9802	4.0303	3.1780	2.7733	3.9465		1.0982	1.0926	1.0982	2.5536	3.5116	1.5113	2.2002
H9	4.7026	5.3632	5.4681	4.2421	3.9272	3.5288	4.8278	1.0982		1.7744	1.7667	3.2620	4.1335	2.1567	2.5516
H10	3.8308	4.6765	4.3755	3.6739	2.7922	2.0619	3.5524	1.0926	1.7744		1.7741	2.7375	3.8148	2.1751	3.1091
H11	5.1724	5.8090	5.8742	5.0729	3.9347	3.4949	4.5065	1.0982	1.7667	1.7741		3.2592	4.1327	2.1566	2.5518
C12	2.5281	2.7652	3.4803	2.7955	1.5121	2.1602	2.1416	2.5536	3.2620	2.7375	3.2592		1.0900	1.3362	2.0832
H13	2.8462	2.6421	3.8382	3.2181	2.1971	3.0956	2.5186	3.5116	4.1335	3.8148	4.1327	1.0900		2.0843	2.3611
C14	3.5933	3.9643	4.5272	3.5485	2.5577	2.7224	3.2644	1.5113	2.1567	2.1751	2.1566	1.3362	2.0843		1.0893
H15	4.4313	4.6104	5.4369	4.3385	3.5133	3.7984	4.1297	2.2002	2.5516	3.1091	2.5518	2.0832	2.3611	1.0893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.467	C1	C5	H7	108.719
C1	C5	C12	111.198	H2	C1	H3	108.340
H2	C1	H4	108.189	H2	C1	C5	110.467
H3	C1	H4	108.750	H3	C1	C5	110.831
H4	C1	C5	110.191	C5	C12	H13	114.227
C5	C12	C14	127.683	H6	C5	H7	107.229
H6	C5	C12	110.946	H7	C5	C12	109.172
C8	C14	C12	127.375	C8	C14	H15	114.593
H9	C8	H10	108.175	H9	C8	H11	107.091
H9	C8	C14	110.478	H10	C8	H11	108.145
H10	C8	C14	112.302	H11	C8	C14	110.467
C12	C14	H15	118.032	H13	C12	C14	118.075

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.542	-0.387
2	H	0.186	0.102
3	H	0.185	0.079
4	H	0.195	0.114
5	C	-0.449	0.303
6	H	0.196	-0.016
7	H	0.199	-0.010
8	C	-0.611	-0.275
9	H	0.200	0.094
10	H	0.199	0.109
11	H	0.201	0.089
12	C	-0.141	-0.442
13	H	0.174	0.172
14	C	-0.168	-0.038
15	H	0.177	0.105

	x	y	z	Total
	-0.017	-0.197	0.002	0.197
CHELPG
AIM
ESP	-0.037	-0.220	-0.011	0.223

	x	y	z
x	10.157	0.367	0.734
y	0.367	6.872	-0.196
z	0.734	-0.196	5.544

<r²>	164.400
(<r²>)^1/2	12.822

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

using model chemistry: B3LYP/3-21G

States and conformations

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