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	hartrees
Energy at 0K	-196.467988
Energy at 298.15K	-196.477937
Nuclear repulsion energy	169.237530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3054	3042	37.58
2	A'	3020	3008	30.85
3	A'	3015	3003	40.43
4	A'	3009	2997	16.26
5	A'	2956	2944	26.04
6	A'	2934	2922	44.49
7	A'	2914	2903	38.05
8	A'	1672	1666	0.14
9	A'	1474	1469	5.10
10	A'	1460	1454	10.22
11	A'	1442	1436	2.76
12	A'	1379	1373	5.93
13	A'	1376	1371	0.04
14	A'	1339	1334	11.25
15	A'	1304	1299	0.85
16	A'	1283	1278	0.07
17	A'	1109	1105	0.85
18	A'	1046	1042	6.32
19	A'	1012	1008	1.18
20	A'	924	920	8.34
21	A'	826	823	0.01
22	A'	568	565	0.62
23	A'	356	354	0.28
24	A'	196	195	0.30
25	A"	3012	3000	42.27
26	A"	2968	2956	30.53
27	A"	2923	2912	24.64
28	A"	1466	1461	6.77
29	A"	1446	1440	6.43
30	A"	1259	1254	0.21
31	A"	1075	1071	1.23
32	A"	1035	1031	0.09
33	A"	974	970	31.18
34	A"	807	803	2.30
35	A"	694	691	0.36
36	A"	287	286	1.91
37	A"	213	212	0.08
38	A"	195	194	2.52
39	A"	118	117	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.753	-1.235	0.000
C2	-0.994	-0.168	0.000
H3	-0.267	1.798	0.000
C4	0.000	0.733	0.000
H5	-2.975	-0.253	0.883
H6	-2.975	-0.253	-0.883
H7	-2.634	1.256	0.000
C8	-2.467	0.170	0.000
H9	1.939	0.962	-0.875
H10	1.939	0.962	0.875
C11	1.491	0.456	0.000
H12	3.009	-1.116	0.000
H13	1.534	-1.553	0.889
H14	1.534	-1.553	-0.889
C15	1.913	-1.027	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0945	3.0715	2.1074	2.5857	2.5857	3.1219	2.2167	3.5828	3.5828	2.8092	3.7633	2.4740	2.4740	2.6738
C2	1.0945		2.0958	1.3418	2.1706	2.1706	2.1716	1.5112	3.2626	3.2626	2.5621	4.1137	3.0169	3.0169	3.0315
H3	3.0715	2.0958		1.0973	3.5102	3.5102	2.4283	2.7375	2.5154	2.5154	2.2111	4.3833	3.9059	3.9059	3.5673
C4	2.1074	1.3418	1.0973		3.2565	3.2565	2.6853	2.5310	2.1392	2.1392	1.5163	3.5313	2.8928	2.8928	2.5992
H5	2.5857	2.1706	3.5102	3.2565		1.7664	1.7815	1.1029	5.3586	5.0621	4.6074	6.1101	4.6932	5.0166	5.0274
H6	2.5857	2.1706	3.5102	3.2565	1.7664		1.7815	1.1029	5.0621	5.3586	4.6074	6.1101	5.0166	4.6932	5.0274
H7	3.1219	2.1716	2.4283	2.6853	1.7815	1.7815		1.0994	4.6648	4.6648	4.2015	6.1207	5.1041	5.1041	5.0876
C8	2.2167	1.5112	2.7375	2.5310	1.1029	1.1029	1.0994		4.5615	4.5615	3.9684	5.6249	4.4462	4.4462	4.5407
H9	3.5828	3.2626	2.5154	2.1392	5.3586	5.0621	4.6648	4.5615		1.7494	1.1055	2.4951	3.0977	2.5469	2.1725
H10	3.5828	3.2626	2.5154	2.1392	5.0621	5.3586	4.6648	4.5615	1.7494		1.1055	2.4951	2.5469	3.0977	2.1725
C11	2.8092	2.5621	2.2111	1.5163	4.6074	4.6074	4.2015	3.9684	1.1055	1.1055		2.1846	2.1965	2.1965	1.5411
H12	3.7633	4.1137	4.3833	3.5313	6.1101	6.1101	6.1207	5.6249	2.4951	2.4951	2.1846		1.7762	1.7762	1.0994
H13	2.4740	3.0169	3.9059	2.8928	4.6932	5.0166	5.1041	4.4462	3.0977	2.5469	2.1965	1.7762		1.7774	1.1000
H14	2.4740	3.0169	3.9059	2.8928	5.0166	4.6932	5.1041	4.4462	2.5469	3.0977	2.1965	1.7762	1.7774		1.1000
C15	2.6738	3.0315	3.5673	2.5992	5.0274	5.0274	5.0876	4.5407	2.1725	2.1725	1.5411	1.0994	1.1000	1.1000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.421	H1	C2	C8	115.655
C2	C4	H3	118.116	C2	C4	C11	127.274
C2	C8	H5	111.315	C2	C8	H6	111.315
C2	C8	H7	111.606	H3	C4	C11	114.610
C4	C2	C8	124.923	C4	C11	H9	108.337
C4	C11	H10	108.337	C4	C11	C15	116.449
H5	C8	H6	106.411	H5	C8	H7	107.983
H6	C8	H7	107.983	H9	C11	H10	104.594
H9	C11	C15	109.234	H10	C11	C15	109.234
C11	C15	H12	110.543	C11	C15	H13	111.447
C11	C15	H14	111.447	H12	C15	H13	107.724
H12	C15	H14	107.724	H13	C15	H14	107.787

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

using model chemistry: BLYP/6-311G**

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	0.083
2	C	-0.124
3	H	0.076
4	C	-0.117
5	H	0.107
6	H	0.107
7	H	0.098
8	C	-0.268
9	H	0.108
10	H	0.108
11	C	-0.180
12	H	0.102
13	H	0.106
14	H	0.106
15	C	-0.312

	x	y	z	Total
	0.094	0.018	0.000	0.096
CHELPG
AIM
ESP

	x	y	z
x	11.729	0.548	0.000
y	0.548	8.803	0.000
z	0.000	0.000	6.606

<r²>	175.467
(<r²>)^1/2	13.246

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

using model chemistry: BLYP/6-311G**

States and conformations

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