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	hartrees
Energy at 0K	-196.319142
Energy at 298.15K	-196.329121
Nuclear repulsion energy	170.311616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	3044	31.14
2	A'	3039	3018	30.09
3	A'	3038	3017	22.71
4	A'	3031	3010	12.68
5	A'	2967	2947	22.90
6	A'	2948	2927	37.42
7	A'	2930	2910	30.78
8	A'	1688	1676	0.10
9	A'	1455	1445	5.53
10	A'	1440	1430	11.51
11	A'	1420	1410	4.58
12	A'	1362	1353	7.63
13	A'	1357	1347	0.22
14	A'	1327	1318	6.89
15	A'	1293	1284	0.96
16	A'	1273	1264	0.06
17	A'	1114	1107	0.41
18	A'	1070	1062	8.02
19	A'	1001	994	2.20
20	A'	930	924	10.04
21	A'	840	835	0.03
22	A'	569	565	0.92
23	A'	354	351	0.29
24	A'	195	194	0.36
25	A"	3031	3010	29.57
26	A"	2993	2972	19.34
27	A"	2945	2925	15.76
28	A"	1447	1437	7.55
29	A"	1425	1415	6.43
30	A"	1245	1237	0.20
31	A"	1064	1057	1.44
32	A"	1026	1018	0.16
33	A"	971	964	29.96
34	A"	801	796	2.50
35	A"	688	683	0.58
36	A"	289	287	2.16
37	A"	220	218	0.02
38	A"	197	196	2.77
39	A"	128	127	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.723	-1.239	0.000
C2	-0.982	-0.175	0.000
H3	-0.279	1.795	0.000
C4	0.000	0.734	0.000
H5	-2.950	-0.281	0.882
H6	-2.950	-0.281	-0.882
H7	-2.621	1.231	0.000
C8	-2.446	0.146	0.000
H9	1.926	0.973	-0.873
H10	1.926	0.973	0.873
C11	1.479	0.464	0.000
H12	2.987	-1.102	0.000
H13	1.510	-1.530	0.888
H14	1.510	-1.530	-0.888
C15	1.893	-1.005	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0950	3.0661	2.1012	2.5798	2.5798	3.1145	2.2103	3.5595	3.5595	2.7836	3.7122	2.4208	2.4208	2.6258
C2	1.0950		2.0914	1.3380	2.1594	2.1594	2.1590	1.4985	3.2458	3.2458	2.5425	4.0755	2.9726	2.9726	2.9921
H3	3.0661	2.0914		1.0971	3.4959	3.4959	2.4082	2.7225	2.5104	2.5104	2.2053	4.3659	3.8793	3.8793	3.5442
C4	2.1012	1.3380	1.0971		3.2422	3.2422	2.6673	2.5154	2.1281	2.1281	1.5034	3.5060	2.8629	2.8629	2.5707
H5	2.5798	2.1594	3.4959	3.2422		1.7635	1.7810	1.1020	5.3319	5.0348	4.5772	6.0579	4.6322	4.9586	4.9754
H6	2.5798	2.1594	3.4959	3.2422	1.7635		1.7810	1.1020	5.0348	5.3319	4.5772	6.0579	4.9586	4.6322	4.9754
H7	3.1145	2.1590	2.4082	2.6673	1.7810	1.7810		1.0988	4.6368	4.6368	4.1707	6.0733	5.0474	5.0474	5.0369
C8	2.2103	1.4985	2.7225	2.5154	1.1020	1.1020	1.0988		4.5340	4.5340	3.9375	5.5740	4.3872	4.3872	4.4885
H9	3.5595	3.2458	2.5104	2.1281	5.3319	5.0348	4.6368	4.5340		1.7466	1.1051	2.4886	3.0885	2.5374	2.1629
H10	3.5595	3.2458	2.5104	2.1281	5.0348	5.3319	4.6368	4.5340	1.7466		1.1051	2.4886	2.5374	3.0885	2.1629
C11	2.7836	2.5425	2.2053	1.5034	4.5772	4.5772	4.1707	3.9375	1.1051	1.1051		2.1740	2.1832	2.1832	1.5269
H12	3.7122	4.0755	4.3659	3.5060	6.0579	6.0579	6.0733	5.5740	2.4886	2.4886	2.1740		1.7751	1.7751	1.0985
H13	2.4208	2.9726	3.8793	2.8629	4.6322	4.9586	5.0474	4.3872	3.0885	2.5374	2.1832	1.7751		1.7752	1.0996
H14	2.4208	2.9726	3.8793	2.8629	4.9586	4.6322	5.0474	4.3872	2.5374	3.0885	2.1832	1.7751	1.7752		1.0996
C15	2.6258	2.9921	3.5442	2.5707	4.9754	4.9754	5.0369	4.4885	2.1629	2.1629	1.5269	1.0985	1.0996	1.0996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.110	H1	C2	C8	116.045
C2	C4	H3	118.035	C2	C4	C11	126.866
C2	C8	H5	111.358	C2	C8	H6	111.358
C2	C8	H7	111.525	H3	C4	C11	115.100
C4	C2	C8	124.845	C4	C11	H9	108.374
C4	C11	H10	108.374	C4	C11	C15	116.058
H5	C8	H6	106.280	H5	C8	H7	108.046
H6	C8	H7	108.046	H9	C11	H10	104.422
H9	C11	C15	109.486	H10	C11	C15	109.486
C11	C15	H12	110.746	C11	C15	H13	111.413
C11	C15	H14	111.413	H12	C15	H13	107.721
H12	C15	H14	107.721	H13	C15	H14	107.652

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	H	0.086
2	C	-0.109
3	H	0.082
4	C	-0.111
5	H	0.097
6	H	0.097
7	H	0.090
8	C	-0.271
9	H	0.085
10	H	0.085
11	C	-0.115
12	H	0.092
13	H	0.094
14	H	0.094
15	C	-0.297

	x	y	z	Total
	0.108	0.021	0.000	0.110
CHELPG
AIM
ESP

	x	y	z
x	12.286	0.455	0.000
y	0.455	9.227	0.000
z	0.000	0.000	7.118

<r²>	172.624
(<r²>)^1/2	13.139

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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