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	hartrees
Energy at 0K	-196.301615
Energy at 298.15K	-196.311746
Nuclear repulsion energy	170.924704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3024	30.46
2	A'	3154	2999	30.35
3	A'	3152	2997	29.38
4	A'	3145	2991	11.21
5	A'	3072	2922	20.79
6	A'	3053	2903	37.32
7	A'	3037	2888	34.65
8	A'	1782	1695	0.15
9	A'	1536	1461	5.50
10	A'	1520	1446	9.55
11	A'	1504	1430	2.27
12	A'	1444	1373	8.07
13	A'	1436	1365	0.52
14	A'	1396	1328	8.83
15	A'	1349	1283	0.87
16	A'	1334	1269	0.05
17	A'	1165	1108	1.17
18	A'	1116	1062	5.79
19	A'	1047	995	2.94
20	A'	971	924	8.29
21	A'	879	836	0.08
22	A'	587	558	0.97
23	A'	367	349	0.21
24	A'	206	196	0.30
25	A"	3149	2994	32.10
26	A"	3110	2958	23.67
27	A"	3063	2913	21.03
28	A"	1526	1452	7.20
29	A"	1506	1432	7.02
30	A"	1305	1241	0.06
31	A"	1116	1062	1.42
32	A"	1077	1024	0.01
33	A"	1019	969	27.16
34	A"	835	794	3.23
35	A"	715	680	0.57
36	A"	306	291	1.91
37	A"	230	219	0.19
38	A"	204	194	2.57
39	A"	129	122	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-0.758	-1.203	0.000
C2	-0.985	-0.187	0.000
H3	-0.286	1.726	0.000
C4	0.000	0.721	0.000
H5	-2.913	-0.202	0.885
H6	-2.913	-0.202	-0.885
H7	-2.503	1.289	0.000
C8	-2.404	0.205	0.000
H9	1.894	0.926	-0.875
H10	1.894	0.926	0.875
C11	1.457	0.444	0.000
H12	2.964	-1.111	0.000
H13	1.488	-1.540	0.878
H14	1.488	-1.540	-0.878
C15	1.873	-1.028	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0411	2.9668	2.0676	2.5359	2.5359	3.0429	2.1661	3.5110	3.5110	2.7597	3.7225	2.4342	2.4342	2.6370
C2	1.0411		2.0369	1.3396	2.1215	2.1215	2.1178	1.4719	3.2079	3.2079	2.5219	4.0553	2.9521	2.9521	2.9798
H3	2.9668	2.0369		1.0451	3.3771	3.3771	2.2604	2.6077	2.4811	2.4811	2.1633	4.3134	3.8185	3.8185	3.4999
C4	2.0676	1.3396	1.0451		3.1814	3.1814	2.5672	2.4585	2.0961	2.0961	1.4828	3.4839	2.8450	2.8450	2.5632
H5	2.5359	2.1215	3.3771	3.1814		1.7701	1.7819	1.0993	5.2417	4.9373	4.5051	6.0121	4.5996	4.9258	4.9374
H6	2.5359	2.1215	3.3771	3.1814	1.7701		1.7819	1.0993	4.9373	5.2417	4.5051	6.0121	4.9258	4.5996	4.9374
H7	3.0429	2.1178	2.2604	2.5672	1.7819	1.7819		1.0888	4.4981	4.4981	4.0494	5.9707	4.9703	4.9703	4.9527
C8	2.1661	1.4719	2.6077	2.4585	1.0993	1.0993	1.0888		4.4444	4.4444	3.8678	5.5263	4.3541	4.3541	4.4515
H9	3.5110	3.2079	2.4811	2.0961	5.2417	4.9373	4.4981	4.4444		1.7504	1.0904	2.4613	3.0522	2.4988	2.1413
H10	3.5110	3.2079	2.4811	2.0961	4.9373	5.2417	4.4981	4.4444	1.7504		1.0904	2.4613	2.4988	3.0522	2.1413
C11	2.7597	2.5219	2.1633	1.4828	4.5051	4.5051	4.0494	3.8678	1.0904	1.0904		2.1651	2.1694	2.1694	1.5302
H12	3.7225	4.0553	4.3134	3.4839	6.0121	6.0121	5.9707	5.5263	2.4613	2.4613	2.1651		1.7699	1.7699	1.0932
H13	2.4342	2.9521	3.8185	2.8450	4.5996	4.9258	4.9703	4.3541	3.0522	2.4988	2.1694	1.7699		1.7551	1.0865
H14	2.4342	2.9521	3.8185	2.8450	4.9258	4.5996	4.9703	4.3541	2.4988	3.0522	2.1694	1.7699	1.7551		1.0865
C15	2.6370	2.9798	3.4999	2.5632	4.9374	4.9374	4.9527	4.4515	2.1413	2.1413	1.5302	1.0932	1.0865	1.0865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.050	H1	C2	C8	118.058
C2	C4	H3	116.799	C2	C4	C11	126.574
C2	C8	H5	110.365	C2	C8	H6	110.365
C2	C8	H7	110.702	H3	C4	C11	116.627
C4	C2	C8	121.892	C4	C11	H9	108.128
C4	C11	H10	108.128	C4	C11	C15	116.570
H5	C8	H6	107.239	H5	C8	H7	109.044
H6	C8	H7	109.044	H9	C11	H10	106.760
H9	C11	C15	108.421	H10	C11	C15	108.421
C11	C15	H12	110.125	C11	C15	H13	110.867
C11	C15	H14	110.867	H12	C15	H13	108.580
H12	C15	H14	108.580	H13	C15	H14	107.738

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

using model chemistry: HSEh1PBE/6-31G*

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	0.150
2	C	-0.119
3	H	0.143
4	C	-0.131
5	H	0.178
6	H	0.178
7	H	0.175
8	C	-0.561
9	H	0.172
10	H	0.172
11	C	-0.351
12	H	0.170
13	H	0.174
14	H	0.174
15	C	-0.524

	x	y	z	Total
	0.085	0.009	0.000	0.085
CHELPG
AIM
ESP

	x	y	z
x	10.360	0.674	0.000
y	0.674	7.816	0.000
z	0.000	0.000	5.715

<r²>	170.807
(<r²>)^1/2	13.069

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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