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	hartrees
Energy at 0K	-195.730522
Energy at 298.15K	-195.740816
HF Energy	-195.143355
Nuclear repulsion energy	171.209026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3033	23.33
2	A'	3249	3001	30.66
3	A'	3239	2991	33.62
4	A'	3235	2988	15.38
5	A'	3162	2921	18.48
6	A'	3148	2908	33.22
7	A'	3137	2897	35.59
8	A'	1861	1719	0.08
9	A'	1604	1482	4.22
10	A'	1591	1470	8.24
11	A'	1584	1463	1.07
12	A'	1520	1404	7.07
13	A'	1511	1396	0.69
14	A'	1470	1358	7.56
15	A'	1414	1306	0.69
16	A'	1403	1296	0.02
17	A'	1213	1121	1.50
18	A'	1152	1064	3.14
19	A'	1096	1013	2.11
20	A'	1007	930	5.27
21	A'	909	839	0.02
22	A'	608	562	0.50
23	A'	383	354	0.18
24	A'	218	202	0.25
25	A"	3240	2993	36.03
26	A"	3209	2964	27.22
27	A"	3165	2924	22.91
28	A"	1594	1472	6.01
29	A"	1576	1455	6.01
30	A"	1368	1263	0.18
31	A"	1180	1090	2.20
32	A"	1138	1051	0.85
33	A"	1066	985	28.36
34	A"	878	811	2.27
35	A"	752	695	0.39
36	A"	316	292	1.54
37	A"	231	213	0.92
38	A"	204	189	1.33
39	A"	124	114	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	-0.734	-1.227	0.000
C2	-0.975	-0.171	0.000
H3	-0.270	1.780	0.000
C4	0.000	0.728	0.000
H5	-2.935	-0.252	0.877
H6	-2.935	-0.252	-0.877
H7	-2.595	1.241	0.000
C8	-2.437	0.164	0.000
H9	1.921	0.950	-0.869
H10	1.921	0.950	0.869
C11	1.479	0.455	0.000
H12	2.963	-1.112	0.000
H13	1.497	-1.527	0.881
H14	1.497	-1.527	-0.881
C15	1.879	-1.014	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0832	3.0426	2.0884	2.5625	2.5625	3.0912	2.1986	3.5419	3.5419	2.7794	3.6987	2.4170	2.4170	2.6212
C2	1.0832		2.0746	1.3265	2.1489	2.1489	2.1490	1.4993	3.2251	3.2251	2.5325	4.0492	2.9540	2.9540	2.9756
H3	3.0426	2.0746		1.0859	3.4645	3.4645	2.3872	2.7033	2.4986	2.4986	2.1935	4.3379	3.8516	3.8516	3.5242
C4	2.0884	1.3265	1.0859		3.2165	3.2165	2.6455	2.5012	2.1201	2.1201	1.5035	3.4882	2.8467	2.8467	2.5619
H5	2.5625	2.1489	3.4645	3.2165		1.7539	1.7644	1.0911	5.2989	5.0031	4.5554	6.0250	4.6118	4.9356	4.9521
H6	2.5625	2.1489	3.4645	3.2165	1.7539		1.7644	1.0911	5.0031	5.2989	4.5554	6.0250	4.9356	4.6118	4.9521
H7	3.0912	2.1490	2.3872	2.6455	1.7644	1.7644		1.0888	4.6084	4.6084	4.1489	6.0361	5.0183	5.0183	5.0099
C8	2.1986	1.4993	2.7033	2.5012	1.0911	1.0911	1.0888		4.5127	4.5127	3.9261	5.5485	4.3712	4.3712	4.4731
H9	3.5419	3.2251	2.4986	2.1201	5.2989	5.0031	4.6084	4.5127		1.7373	1.0934	2.4689	3.0629	2.5139	2.1480
H10	3.5419	3.2251	2.4986	2.1201	5.0031	5.2989	4.6084	4.5127	1.7373		1.0934	2.4689	2.5139	3.0629	2.1480
C11	2.7794	2.5325	2.1935	1.5035	4.5554	4.5554	4.1489	3.9261	1.0934	1.0934		2.1591	2.1698	2.1698	1.5226
H12	3.6987	4.0492	4.3379	3.4882	6.0250	6.0250	6.0361	5.5485	2.4689	2.4689	2.1591		1.7605	1.7605	1.0889
H13	2.4170	2.9540	3.8516	2.8467	4.6118	4.9356	5.0183	4.3712	3.0629	2.5139	2.1698	1.7605		1.7623	1.0892
H14	2.4170	2.9540	3.8516	2.8467	4.9356	4.6118	5.0183	4.3712	2.5139	3.0629	2.1698	1.7605	1.7623		1.0892
C15	2.6212	2.9756	3.5242	2.5619	4.9521	4.9521	5.0099	4.4731	2.1480	2.1480	1.5226	1.0889	1.0892	1.0892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.804	H1	C2	C8	115.774
C2	C4	H3	118.290	C2	C4	C11	126.870
C2	C8	H5	111.126	C2	C8	H6	111.126
C2	C8	H7	111.276	H3	C4	C11	114.840
C4	C2	C8	124.422	C4	C11	H9	108.418
C4	C11	H10	108.418	C4	C11	C15	115.687
H5	C8	H6	106.982	H5	C8	H7	108.078
H6	C8	H7	108.078	H9	C11	H10	105.209
H9	C11	C15	109.296	H10	C11	C15	109.296
C11	C15	H12	110.436	C11	C15	H13	111.280
C11	C15	H14	111.280	H12	C15	H13	107.852
H12	C15	H14	107.852	H13	C15	H14	107.998

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

using model chemistry: CID/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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All results from a given calculation for C5H10 (2-Pentene, (E)-)

using model chemistry: CID/6-31G*

States and conformations

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