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	hartrees
Energy at 0K	-195.085337
Energy at 298.15K	-195.095655
Nuclear repulsion energy	170.786975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3015	95.23
2	A	3315	2983	25.79
3	A	3310	2978	38.25
4	A	3286	2957	74.61
5	A	3277	2949	64.85
6	A	3263	2936	12.58
7	A	3252	2927	50.43
8	A	3203	2882	34.41
9	A	3192	2872	68.49
10	A	3190	2871	63.11
11	A	1869	1682	2.97
12	A	1656	1490	14.30
13	A	1648	1483	0.19
14	A	1645	1481	8.68
15	A	1641	1477	9.60
16	A	1638	1474	7.24
17	A	1582	1424	7.31
18	A	1567	1410	3.97
19	A	1558	1402	1.92
20	A	1483	1335	3.37
21	A	1425	1282	0.56
22	A	1402	1262	0.22
23	A	1287	1158	0.90
24	A	1210	1089	5.62
25	A	1195	1075	4.34
26	A	1157	1041	0.13
27	A	1136	1022	0.44
28	A	1112	1001	1.96
29	A	1011	910	10.99
30	A	927	834	1.69
31	A	874	786	10.92
32	A	800	720	49.92
33	A	617	555	5.95
34	A	514	462	1.35
35	A	323	290	0.02
36	A	283	255	0.18
37	A	229	206	0.03
38	A	122	110	0.46
39	A	52	46	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	2.212	-0.271	-0.410
H2	2.687	0.700	-0.505
H3	2.960	-0.976	-0.064
H4	1.886	-0.579	-1.398
C5	1.020	-0.210	0.566
H6	0.580	-1.194	0.660
H7	1.389	0.060	1.553
C8	-2.092	-0.670	-0.090
H9	-2.544	-0.873	-1.056
H10	-1.485	-1.523	0.180
H11	-2.900	-0.593	0.632
C12	-0.011	0.811	0.138
H13	0.370	1.815	0.043
C14	-1.306	0.620	-0.139
H15	-1.880	1.483	-0.435

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0855	1.0852	1.0844	1.5426	2.1587	2.1541	4.3340	4.8370	3.9480	5.2270	2.5325	2.8198	3.6388	4.4515
H2	1.0855		1.7550	1.7539	2.1809	3.0634	2.5156	4.9889	5.4905	4.7775	5.8466	2.7763	2.6294	4.0105	4.6339
H3	1.0852	1.7550		1.7581	2.1797	2.4970	2.4811	5.0613	5.5936	4.4857	5.9136	3.4734	3.8098	4.5553	5.4412
H4	1.0844	1.7539	1.7581		2.1784	2.5135	3.0595	4.1885	4.4529	3.8406	5.1988	2.8090	3.1794	3.6347	4.3999
C5	1.5426	2.1809	2.1797	2.1784		1.0821	1.0871	3.2128	3.9711	2.8546	3.9387	1.5125	2.1900	2.5674	3.5029
H6	2.1587	3.0634	2.4970	2.5135	1.0821		1.7389	2.8241	3.5786	2.1458	3.5317	2.1545	3.0791	2.7357	3.7965
H7	2.1541	2.5156	2.4811	3.0595	1.0871	1.7389		3.9171	4.8105	3.5567	4.4347	2.1274	2.5293	3.2300	4.0811
C8	4.3340	4.9889	5.0613	4.1885	3.2128	2.8241	3.9171		1.0862	1.0812	1.0862	2.5636	3.5006	1.5113	2.1904
H9	4.8370	5.4905	5.5936	4.4529	3.9711	3.5786	4.8105	1.0862		1.7526	1.7479	3.2672	4.1143	2.1459	2.5256
H10	3.9480	4.7775	4.4857	3.8406	2.8546	2.1458	3.5567	1.0812	1.7526		1.7521	2.7608	3.8219	2.1743	3.0935
H11	5.2270	5.8466	5.9136	5.1988	3.9387	3.5317	4.4347	1.0862	1.7479	1.7521		3.2495	4.1036	2.1465	2.5473
C12	2.5325	2.7763	3.4734	2.8090	1.5125	2.1545	2.1274	2.5636	3.2672	2.7608	3.2495		1.0787	1.3371	2.0662
H13	2.8198	2.6294	3.8098	3.1794	2.1900	3.0791	2.5293	3.5006	4.1143	3.8219	4.1036	1.0787		2.0663	2.3236
C14	3.6388	4.0105	4.5553	3.6347	2.5674	2.7357	3.2300	1.5113	2.1459	2.1743	2.1465	1.3371	2.0663		1.0777
H15	4.4515	4.6339	5.4412	4.3999	3.5029	3.7965	4.0811	2.1904	2.5256	3.0935	2.5473	2.0662	2.3236	1.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.410	C1	C5	H7	108.770
C1	C5	C12	111.982	H2	C1	H3	107.897
H2	C1	H4	107.860	H2	C1	C5	110.970
H3	C1	H4	108.261	H3	C1	C5	110.892
H4	C1	C5	110.836	C5	C12	H13	114.341
C5	C12	C14	128.464	H6	C5	H7	106.570
H6	C5	C12	111.192	H7	C5	C12	108.739
C8	C14	C12	128.214	C8	C14	H15	114.530
H9	C8	H10	107.930	H9	C8	H11	107.145
H9	C8	C14	110.337	H10	C8	H11	107.881
H10	C8	C14	112.953	H11	C8	C14	110.380
C12	C14	H15	117.257	H13	C12	C14	117.193

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

using model chemistry: HF/LANL2DZ

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	-0.537
2	H	0.166
3	H	0.176
4	H	0.177
5	C	-0.339
6	H	0.161
7	H	0.165
8	C	-0.606
9	H	0.182
10	H	0.178
11	H	0.183
12	C	-0.122
13	H	0.179
14	C	-0.141
15	H	0.178

	x	y	z	Total
	0.001	-0.256	0.028	0.257
CHELPG
AIM
ESP

	x	y	z
x	10.401	0.361	0.691
y	0.361	6.699	-0.084
z	0.691	-0.084	5.836

<r²>	167.335
(<r²>)^1/2	12.936

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

using model chemistry: HF/LANL2DZ

States and conformations

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