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	hartrees
Energy at 0K	-195.443567
Energy at 298.15K	-195.453604
Nuclear repulsion energy	171.500700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	3031	23.40
2	A'	3073	3027	24.02
3	A'	3056	3010	5.04
4	A'	3054	3008	21.54
5	A'	2979	2934	20.63
6	A'	2962	2918	32.07
7	A'	2947	2903	25.30
8	A'	1726	1700	0.07
9	A'	1441	1420	11.07
10	A'	1422	1401	18.22
11	A'	1403	1382	9.15
12	A'	1358	1338	15.51
13	A'	1346	1326	1.72
14	A'	1319	1299	3.34
15	A'	1272	1253	1.26
16	A'	1260	1241	0.46
17	A'	1127	1110	0.34
18	A'	1100	1083	10.36
19	A'	994	979	5.27
20	A'	943	929	12.49
21	A'	862	849	0.53
22	A'	574	565	1.78
23	A'	358	353	0.29
24	A'	207	204	0.47
25	A"	3056	3011	20.53
26	A"	3027	2982	10.07
27	A"	2974	2930	9.89
28	A"	1430	1408	13.18
29	A"	1408	1387	11.61
30	A"	1227	1209	0.17
31	A"	1053	1037	1.83
32	A"	1015	999	0.00
33	A"	955	940	41.13
34	A"	799	787	3.81
35	A"	684	673	0.87
36	A"	305	301	2.48
37	A"	234	231	0.11
38	A"	201	198	5.12
39	A"	141	139	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.664	-1.248	0.000
C2	-0.960	-0.188	0.000
H3	-0.308	1.802	0.000
C4	0.000	0.744	0.000
H5	-2.917	-0.337	0.884
H6	-2.917	-0.337	-0.884
H7	-2.611	1.184	0.000
C8	-2.415	0.098	0.000
H9	1.916	0.997	-0.876
H10	1.916	0.997	0.876
C11	1.465	0.487	0.000
H12	2.956	-1.090	0.000
H13	1.465	-1.493	0.890
H14	1.465	-1.493	-0.890
C15	1.860	-0.971	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.1010	3.0710	2.0997	2.5856	2.5856	3.1159	2.2088	3.5308	3.5308	2.7469	3.6234	2.3208	2.3208	2.5396
C2	1.1010		2.0939	1.3376	2.1523	2.1523	2.1470	1.4830	3.2314	3.2314	2.5175	4.0185	2.8942	2.8942	2.9270
H3	3.0710	2.0939		1.1022	3.4878	3.4878	2.3851	2.7101	2.5215	2.5215	2.2077	4.3606	3.8456	3.8456	3.5199
C4	2.0997	1.3376	1.1022		3.2338	3.2338	2.6484	2.5001	2.1216	2.1216	1.4878	3.4784	2.8176	2.8176	2.5299
H5	2.5856	2.1523	3.4878	3.2338		1.7683	1.7859	1.1057	5.3133	5.0133	4.5457	5.9862	4.5317	4.8665	4.8992
H6	2.5856	2.1523	3.4878	3.2338	1.7683		1.7859	1.1057	5.0133	5.3133	4.5457	5.9862	4.8665	4.5317	4.8992
H7	3.1159	2.1470	2.3851	2.6484	1.7859	1.7859		1.1037	4.6149	4.6149	4.1361	6.0139	4.9574	4.9574	4.9640
C8	2.2088	1.4830	2.7101	2.5001	1.1057	1.1057	1.1037		4.5092	4.5092	3.9001	5.5009	4.2872	4.2872	4.4071
H9	3.5308	3.2314	2.5215	2.1216	5.3133	5.0133	4.6149	4.5092		1.7516	1.1093	2.4914	3.0855	2.5305	2.1552
H10	3.5308	3.2314	2.5215	2.1216	5.0133	5.3133	4.6149	4.5092	1.7516		1.1093	2.4914	2.5305	3.0855	2.1552
C11	2.7469	2.5175	2.2077	1.4878	4.5457	4.5457	4.1361	3.9001	1.1093	1.1093		2.1697	2.1701	2.1701	1.5102
H12	3.6234	4.0185	4.3606	3.4784	5.9862	5.9862	6.0139	5.5009	2.4914	2.4914	2.1697		1.7820	1.7820	1.1020
H13	2.3208	2.8942	3.8456	2.8176	4.5317	4.8665	4.9574	4.2872	3.0855	2.5305	2.1701	1.7820		1.7797	1.1045
H14	2.3208	2.8942	3.8456	2.8176	4.8665	4.5317	4.9574	4.2872	2.5305	3.0855	2.1701	1.7820	1.7797		1.1045
C15	2.5396	2.9270	3.5199	2.5299	4.8992	4.8992	4.9640	4.4071	2.1552	2.1552	1.5102	1.1020	1.1045	1.1045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	118.545	H1	C2	C8	116.702
C2	C4	H3	117.918	C2	C4	C11	125.924
C2	C8	H5	111.659	C2	C8	H6	111.659
C2	C8	H7	111.355	H3	C4	C11	116.159
C4	C2	C8	124.753	C4	C11	H9	108.679
C4	C11	H10	108.679	C4	C11	C15	115.097
H5	C8	H6	106.184	H5	C8	H7	107.867
H6	C8	H7	107.867	H9	C11	H10	104.276
H9	C11	C15	109.773	H10	C11	C15	109.773
C11	C15	H12	111.363	C11	C15	H13	111.242
C11	C15	H14	111.242	H12	C15	H13	107.726
H12	C15	H14	107.726	H13	C15	H14	107.352

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

using model chemistry: LSDA/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	H	0.144
2	C	0.150
3	H	0.142
4	C	0.052
5	H	0.193
6	H	0.193
7	H	0.184
8	C	-0.935
9	H	0.189
10	H	0.189
11	C	-0.400
12	H	0.183
13	H	0.193
14	H	0.193
15	C	-0.671

	x	y	z	Total
	0.123	0.008	0.000	0.123
CHELPG
AIM
ESP

	x	y	z
x	11.935	0.697	0.000
y	0.697	9.134	0.000
z	0.000	0.000	7.333

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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