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	hartrees
Energy at 0K	-195.214864
Energy at 298.15K	-195.225201
HF Energy	-195.214864
Nuclear repulsion energy	171.853414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	2972	56.17
2	A	3258	2947	19.81
3	A	3253	2942	25.27
4	A	3224	2916	40.56
5	A	3215	2908	53.71
6	A	3201	2895	12.77
7	A	3190	2885	30.13
8	A	3154	2853	7.38
9	A	3153	2852	68.43
10	A	3145	2845	35.40
11	A	1866	1688	4.41
12	A	1625	1470	5.91
13	A	1613	1459	4.92
14	A	1611	1458	2.54
15	A	1604	1451	4.58
16	A	1601	1448	3.69
17	A	1564	1414	3.90
18	A	1532	1386	1.72
19	A	1529	1383	1.39
20	A	1457	1318	10.34
21	A	1404	1270	0.07
22	A	1382	1250	0.04
23	A	1266	1145	0.11
24	A	1189	1075	4.70
25	A	1171	1059	5.73
26	A	1133	1025	0.06
27	A	1117	1010	0.79
28	A	1086	983	2.58
29	A	990	896	8.70
30	A	913	826	1.18
31	A	853	772	7.24
32	A	786	711	33.58
33	A	606	548	4.94
34	A	511	463	1.30
35	A	323	292	0.03
36	A	283	256	0.05
37	A	233	211	0.02
38	A	138	125	0.36
39	A	58	53	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.187	-0.285	-0.410
H2	2.658	0.681	-0.555
H3	2.941	-0.971	-0.043
H4	1.851	-0.638	-1.378
C5	1.017	-0.185	0.571
H6	0.579	-1.163	0.713
H7	1.399	0.125	1.540
C8	-2.069	-0.673	-0.081
H9	-2.512	-0.893	-1.047
H10	-1.465	-1.520	0.210
H11	-2.886	-0.585	0.628
C12	-0.017	0.812	0.127
H13	0.352	1.819	0.016
C14	-1.292	0.610	-0.145
H15	-1.868	1.467	-0.454

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0845	1.0840	1.0838	1.5299	2.1484	2.1424	4.2862	4.7806	3.9045	5.1865	2.5197	2.8238	3.6023	4.4173
H2	1.0845		1.7526	1.7515	2.1704	3.0544	2.5064	4.9403	5.4269	4.7361	5.8087	2.7640	2.6342	3.9725	4.5952
H3	1.0840	1.7526		1.7557	2.1676	2.4873	2.4666	5.0194	5.5455	4.4477	5.8785	3.4585	3.8068	4.5206	5.4077
H4	1.0838	1.7515	1.7557		2.1682	2.5035	3.0499	4.1297	4.3834	3.7815	5.1451	2.8034	3.1980	3.6003	4.3726
C5	1.5299	2.1704	2.1676	2.1682		1.0812	1.0868	3.1918	3.9463	2.8415	3.9238	1.5034	2.1829	2.5452	3.4787
H6	2.1484	3.0544	2.4873	2.5035	1.0812		1.7365	2.8081	3.5676	2.1356	3.5143	2.1451	3.0710	2.7177	3.7776
H7	2.1424	2.5064	2.4666	3.0499	1.0868	1.7365		3.9110	4.7988	3.5610	4.4385	2.1157	2.5080	3.2127	4.0562
C8	4.2862	4.9403	5.0194	4.1297	3.1918	2.8081	3.9110		1.0852	1.0798	1.0854	2.5417	3.4762	1.5017	2.1819
H9	4.7806	5.4269	5.5455	4.3834	3.9463	3.5676	4.7988	1.0852		1.7515	1.7440	3.2420	4.0854	2.1358	2.5176
H10	3.9045	4.7361	4.4477	3.7815	2.8415	2.1356	3.5610	1.0798	1.7515		1.7515	2.7462	3.8064	2.1664	3.0862
H11	5.1865	5.8087	5.8785	5.1451	3.9238	3.5143	4.4385	1.0854	1.7440	1.7515		3.2301	4.0793	2.1369	2.5334
C12	2.5197	2.7640	3.4585	2.8034	1.5034	2.1451	2.1157	2.5417	3.2420	2.7462	3.2301		1.0783	1.3195	2.0474
H13	2.8238	2.6342	3.8068	3.1980	2.1829	3.0710	2.5080	3.4762	4.0854	3.8064	4.0793	1.0783		2.0474	2.2965
C14	3.6023	3.9725	4.5206	3.6003	2.5452	2.7177	3.2127	1.5017	2.1358	2.1664	2.1369	1.3195	2.0474		1.0773
H15	4.4173	4.5952	5.4077	4.3726	3.4787	3.7776	4.0562	2.1819	2.5176	3.0862	2.5334	2.0474	2.2965	1.0773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.531	C1	C5	H7	108.734
C1	C5	C12	112.332	H2	C1	H3	107.839
H2	C1	H4	107.755	H2	C1	C5	111.087
H3	C1	H4	108.174	H3	C1	C5	110.895
H4	C1	C5	110.954	C5	C12	H13	114.455
C5	C12	C14	128.628	H6	C5	H7	106.444
H6	C5	C12	111.134	H7	C5	C12	108.459
C8	C14	C12	128.449	C8	C14	H15	114.565
H9	C8	H10	107.997	H9	C8	H11	106.922
H9	C8	C14	110.264	H10	C8	H11	107.985
H10	C8	C14	113.102	H11	C8	C14	110.342
C12	C14	H15	116.986	H13	C12	C14	116.916

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-1.210
2	H	0.357
3	H	0.275
4	H	0.459
5	C	-0.197
6	H	0.136
7	H	0.158
8	C	-1.241
9	H	0.219
10	H	0.407
11	H	0.284
12	C	-0.435
13	H	0.645
14	C	-0.260
15	H	0.403

	x	y	z	Total
	0.006	-0.282	0.074	0.291
CHELPG
AIM
ESP

	x	y	z
x	11.726	0.303	0.381
y	0.303	8.249	-0.032
z	0.381	-0.032	7.667

<r²>	165.095
(<r²>)^1/2	12.849

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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