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	hartrees
Energy at 0K	-195.210230
Energy at 298.15K	-195.220678
Nuclear repulsion energy	171.345194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	2991	26.62
2	A'	3257	2959	30.73
3	A'	3221	2927	20.61
4	A'	3215	2921	54.46
5	A'	3158	2869	25.30
6	A'	3147	2860	48.08
7	A'	3134	2848	43.95
8	A'	1873	1702	0.08
9	A'	1624	1476	3.05
10	A'	1610	1463	10.14
11	A'	1602	1456	1.48
12	A'	1544	1403	5.47
13	A'	1536	1395	0.85
14	A'	1499	1362	11.10
15	A'	1447	1315	0.92
16	A'	1432	1302	0.46
17	A'	1231	1118	1.09
18	A'	1145	1040	3.65
19	A'	1116	1014	2.37
20	A'	1009	917	5.38
21	A'	905	822	0.04
22	A'	619	562	0.20
23	A'	389	354	0.28
24	A'	218	198	0.35
25	A"	3218	2923	51.48
26	A"	3187	2896	32.44
27	A"	3149	2861	21.71
28	A"	1615	1468	6.43
29	A"	1598	1452	6.00
30	A"	1399	1271	0.69
31	A"	1208	1097	3.11
32	A"	1172	1065	5.19
33	A"	1106	1005	36.77
34	A"	909	825	1.12
35	A"	780	709	0.44
36	A"	320	291	1.83
37	A"	240	218	0.37
38	A"	217	198	2.67
39	A"	133	121	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-0.755	-1.210	0.000
C2	-0.982	-0.158	0.000
H3	-0.255	1.769	0.000
C4	0.000	0.720	0.000
H5	-2.939	-0.220	0.873
H6	-2.939	-0.220	-0.873
H7	-2.593	1.263	0.000
C8	-2.442	0.191	0.000
H9	1.917	0.931	-0.865
H10	1.917	0.931	0.865
C11	1.479	0.438	0.000
H12	2.967	-1.118	0.000
H13	1.513	-1.546	0.877
H14	1.513	-1.546	-0.877
C15	1.887	-1.030	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0766	3.0207	2.0727	2.5516	2.5516	3.0820	2.1931	3.5318	3.5318	2.7764	3.7227	2.4548	2.4548	2.6477
C2	1.0766		2.0590	1.3168	2.1440	2.1440	2.1489	1.5014	3.2150	3.2150	2.5317	4.0632	2.9864	2.9864	2.9978
H3	3.0207	2.0590		1.0793	3.4528	3.4528	2.3924	2.6963	2.4835	2.4835	2.1858	4.3258	3.8576	3.8576	3.5241
C4	2.0727	1.3168	1.0793		3.2067	3.2067	2.6496	2.4983	2.1138	2.1138	1.5058	3.4899	2.8623	2.8623	2.5733
H5	2.5516	2.1440	3.4528	3.2067		1.7453	1.7557	1.0855	5.2846	4.9908	4.5513	6.0368	4.6451	4.9637	4.9702
H6	2.5516	2.1440	3.4528	3.2067	1.7453		1.7557	1.0855	4.9908	5.2846	4.5513	6.0368	4.9637	4.6451	4.9702
H7	3.0820	2.1489	2.3924	2.6496	1.7557	1.7557		1.0827	4.6047	4.6047	4.1552	6.0485	5.0521	5.0521	5.0329
C8	2.1931	1.5014	2.6963	2.4983	1.0855	1.0855	1.0827		4.5051	4.5051	3.9286	5.5646	4.4077	4.4077	4.4974
H9	3.5318	3.2150	2.4835	2.1138	5.2846	4.9908	4.6047	4.5051		1.7294	1.0875	2.4592	3.0548	2.5096	2.1435
H10	3.5318	3.2150	2.4835	2.1138	4.9908	5.2846	4.6047	4.5051	1.7294		1.0875	2.4592	2.5096	3.0548	2.1435
C11	2.7764	2.5317	2.1858	1.5058	4.5513	4.5513	4.1552	3.9286	1.0875	1.0875		2.1527	2.1693	2.1693	1.5236
H12	3.7227	4.0632	4.3258	3.4899	6.0368	6.0368	6.0485	5.5646	2.4592	2.4592	2.1527		1.7507	1.7507	1.0836
H13	2.4548	2.9864	3.8576	2.8623	4.6451	4.9637	5.0521	4.4077	3.0548	2.5096	2.1693	1.7507		1.7541	1.0838
H14	2.4548	2.9864	3.8576	2.8623	4.9637	4.6451	5.0521	4.4077	2.5096	3.0548	2.1693	1.7507	1.7541		1.0838
C15	2.6477	2.9978	3.5241	2.5733	4.9702	4.9702	5.0329	4.4974	2.1435	2.1435	1.5236	1.0836	1.0838	1.0838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.662	H1	C2	C8	115.594
C2	C4	H3	118.144	C2	C4	C11	127.399
C2	C8	H5	110.930	C2	C8	H6	110.930
C2	C8	H7	111.496	H3	C4	C11	114.457
C4	C2	C8	124.744	C4	C11	H9	108.112
C4	C11	H10	108.112	C4	C11	C15	116.305
H5	C8	H6	107.013	H5	C8	H7	108.151
H6	C8	H7	108.151	H9	C11	H10	105.331
H9	C11	C15	109.211	H10	C11	C15	109.211
C11	C15	H12	110.173	C11	C15	H13	111.489
C11	C15	H14	111.489	H12	C15	H13	107.747
H12	C15	H14	107.747	H13	C15	H14	108.039

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

using model chemistry: HF/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	H	0.099
2	C	0.062
3	H	0.088
4	C	-0.169
5	H	0.128
6	H	0.128
7	H	0.112
8	C	-0.387
9	H	0.118
10	H	0.118
11	C	-0.210
12	H	0.120
13	H	0.139
14	H	0.139
15	C	-0.486

	x	y	z	Total
	0.089	0.012	0.000	0.090
CHELPG
AIM
ESP

	x	y	z
x	11.142	0.537	0.000
y	0.537	8.640	0.000
z	0.000	0.000	7.202

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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