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	hartrees
Energy at 0K	-196.484084
Energy at 298.15K	-196.494089
Nuclear repulsion energy	170.861977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3037	54.60
2	A	3144	3019	11.02
3	A	3135	3010	23.52
4	A	3130	3005	27.80
5	A	3124	2999	30.95
6	A	3096	2972	5.51
7	A	3093	2969	18.12
8	A	3045	2924	37.06
9	A	3038	2917	32.91
10	A	3030	2909	28.43
11	A	1740	1670	4.81
12	A	1505	1445	8.56
13	A	1498	1438	8.70
14	A	1494	1434	5.80
15	A	1483	1424	7.59
16	A	1480	1421	1.50
17	A	1438	1380	9.87
18	A	1408	1352	2.91
19	A	1403	1347	2.02
20	A	1330	1277	5.12
21	A	1299	1248	0.33
22	A	1275	1225	0.22
23	A	1170	1123	0.50
24	A	1091	1048	4.82
25	A	1057	1015	1.88
26	A	1048	1007	0.19
27	A	1042	1001	3.54
28	A	1006	966	0.34
29	A	945	907	13.10
30	A	871	836	1.65
31	A	793	761	5.23
32	A	719	690	40.92
33	A	570	547	6.55
34	A	470	451	1.47
35	A	300	288	0.03
36	A	258	247	0.03
37	A	217	208	0.02
38	A	138	132	0.55
39	A	54	52	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	2.204	-0.272	-0.405
H2	2.689	0.706	-0.503
H3	2.957	-0.984	-0.053
H4	1.882	-0.583	-1.405
C5	1.013	-0.205	0.559
H6	0.562	-1.198	0.656
H7	1.384	0.062	1.559
C8	-2.078	-0.669	-0.088
H9	-2.543	-0.881	-1.059
H10	-1.459	-1.528	0.182
H11	-2.895	-0.603	0.642
C12	-0.010	0.811	0.137
H13	0.372	1.829	0.041
C14	-1.307	0.616	-0.140
H15	-1.888	1.490	-0.437

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0959	1.0953	1.0950	1.5336	2.1630	2.1547	4.3114	4.8297	3.9161	5.2152	2.5231	2.8233	3.6307	4.4549
H2	1.0959		1.7696	1.7677	2.1829	3.0807	2.5239	4.9780	5.4950	4.7604	5.8479	2.7754	2.6320	4.0130	4.6438
H3	1.0953	1.7696		1.7732	2.1824	2.5072	2.4838	5.0451	5.5922	4.4557	5.9054	3.4731	3.8226	4.5554	5.4540
H4	1.0950	1.7677	1.7732		2.1804	2.5235	3.0739	4.1739	4.4483	3.8174	5.1967	2.8107	3.1924	3.6343	4.4101
C5	1.5336	2.1829	2.1824	2.1804		1.0950	1.0998	3.1915	3.9644	2.8289	3.9287	1.5016	2.1946	2.5577	3.5038
H6	2.1630	3.0807	2.5072	2.5235	1.0950		1.7543	2.7932	3.5610	2.1019	3.5075	2.1519	3.0948	2.7231	3.7973
H7	2.1547	2.5239	2.4838	3.0739	1.0998	1.7543		3.9026	4.8127	3.5364	4.4261	2.1272	2.5405	3.2299	4.0898
C8	4.3114	4.9780	5.0451	4.1739	3.1915	2.7932	3.9026		1.0972	1.0926	1.0974	2.5527	3.5008	1.4992	2.1949
H9	4.8297	5.4950	5.5922	4.4483	3.9644	3.5610	4.8127	1.0972		1.7698	1.7589	3.2725	4.1290	2.1481	2.5375
H10	3.9161	4.7604	4.4557	3.8174	2.8289	2.1019	3.5364	1.0926	1.7698		1.7688	2.7516	3.8263	2.1731	3.1102
H11	5.2152	5.8479	5.9054	5.1967	3.9287	3.5075	4.4261	1.0974	1.7589	1.7688		3.2520	4.1163	2.1488	2.5604
C12	2.5231	2.7754	3.4731	2.8107	1.5016	2.1519	2.1272	2.5527	3.2725	2.7516	3.2520		1.0917	1.3404	2.0779
H13	2.8233	2.6320	3.8226	3.1924	2.1946	3.0948	2.5405	3.5008	4.1290	3.8263	4.1163	1.0917		2.0787	2.3341
C14	3.6307	4.0130	4.5554	3.6343	2.5577	2.7231	3.2299	1.4992	2.1481	2.1731	2.1488	1.3404	2.0787		1.0907
H15	4.4549	4.6438	5.4540	4.4101	3.5038	3.7973	4.0898	2.1949	2.5375	3.1102	2.5604	2.0779	2.3341	1.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.623	C1	C5	H7	108.693
C1	C5	C12	112.461	H2	C1	H3	107.725
H2	C1	H4	107.576	H2	C1	C5	111.139
H3	C1	H4	108.113	H3	C1	C5	111.138
H4	C1	C5	110.994	C5	C12	H13	114.698
C5	C12	C14	128.216	H6	C5	H7	106.128
H6	C5	C12	110.971	H7	C5	C12	108.736
C8	C14	C12	127.957	C8	C14	H15	114.960
H9	C8	H10	107.840	H9	C8	H11	106.539
H9	C8	C14	110.705	H10	C8	H11	107.728
H10	C8	C14	113.015	H11	C8	C14	110.740
C12	C14	H15	117.082	H13	C12	C14	117.083

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

using model chemistry: B3PW91/6-31+G**

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	-0.597
2	H	0.161
3	H	0.160
4	H	0.167
5	C	-0.173
6	H	0.142
7	H	0.165
8	C	-0.686
9	H	0.170
10	H	0.154
11	H	0.171
12	C	-0.069
13	H	0.136
14	C	-0.043
15	H	0.142

	x	y	z	Total
	-0.017	-0.285	0.065	0.293
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>	166.432
(<r²>)^1/2	12.901

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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