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	hartrees
Energy at 0K	-195.521804
Energy at 298.15K	-195.531959
HF Energy	-195.064912
Nuclear repulsion energy	169.109438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3036	31.08
2	A'	3143	3007	37.62
3	A'	3133	2997	44.17
4	A'	3129	2994	7.57
5	A'	3061	2928	20.62
6	A'	3045	2914	33.28
7	A'	3033	2902	33.60
8	A'	1728	1653	0.13
9	A'	1582	1513	5.57
10	A'	1574	1506	8.29
11	A'	1566	1498	0.41
12	A'	1489	1425	3.81
13	A'	1483	1419	3.80
14	A'	1435	1373	6.28
15	A'	1381	1322	0.68
16	A'	1370	1311	0.44
17	A'	1182	1131	1.72
18	A'	1114	1066	2.06
19	A'	1081	1035	1.38
20	A'	982	940	5.52
21	A'	875	838	0.00
22	A'	592	567	0.71
23	A'	374	358	0.13
24	A'	214	205	0.20
25	A"	3146	3011	39.31
26	A"	3116	2982	29.67
27	A"	3065	2932	24.93
28	A"	1572	1504	5.75
29	A"	1553	1486	6.19
30	A"	1337	1280	0.07
31	A"	1166	1116	1.32
32	A"	1119	1071	0.04
33	A"	1016	972	31.60
34	A"	861	823	3.44
35	A"	729	697	0.23
36	A"	303	290	1.81
37	A"	218	209	1.31
38	A"	192	184	1.09
39	A"	109	104	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-0.733	-1.247	0.000
C2	-0.986	-0.184	0.000
H3	-0.282	1.804	0.000
C4	0.000	0.745	0.000
H5	-2.970	-0.272	0.887
H6	-2.970	-0.272	-0.887
H7	-2.623	1.232	0.000
C8	-2.467	0.144	0.000
H9	1.947	0.970	-0.879
H10	1.947	0.970	0.879
C11	1.498	0.477	0.000
H12	2.994	-1.117	0.000
H13	1.510	-1.530	0.890
H14	1.510	-1.530	-0.890
C15	1.900	-1.016	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0932	3.0846	2.1225	2.5961	2.5961	3.1178	2.2230	3.5878	3.5878	2.8192	3.7291	2.4296	2.4296	2.6430
C2	1.0932		2.1087	1.3542	2.1746	2.1746	2.1645	1.5169	3.2719	3.2719	2.5700	4.0878	2.9721	2.9721	3.0033
H3	3.0846	2.1087		1.0965	3.5096	3.5096	2.4093	2.7441	2.5372	2.5372	2.2208	4.3896	3.8883	3.8883	3.5657
C4	2.1225	1.3542	1.0965		3.2615	3.2615	2.6678	2.5392	2.1480	2.1480	1.5217	3.5256	2.8713	2.8713	2.5901
H5	2.5961	2.1746	3.5096	3.2615		1.7734	1.7804	1.1006	5.3695	5.0708	4.6156	6.0879	4.6529	4.9805	5.0050
H6	2.5961	2.1746	3.5096	3.2615	1.7734		1.7804	1.1006	5.0708	5.3695	4.6156	6.0879	4.9805	4.6529	5.0050
H7	3.1178	2.1645	2.4093	2.6678	1.7804	1.7804		1.0999	4.6608	4.6608	4.1894	6.0884	5.0500	5.0500	5.0506
C8	2.2230	1.5169	2.7441	2.5392	1.1006	1.1006	1.0999		4.5758	4.5758	3.9788	5.6046	4.4056	4.4056	4.5182
H9	3.5878	3.2719	2.5372	2.1480	5.3695	5.0708	4.6608	4.5758		1.7586	1.1039	2.4955	3.0935	2.5378	2.1726
H10	3.5878	3.2719	2.5372	2.1480	5.0708	5.3695	4.6608	4.5758	1.7586		1.1039	2.4955	2.5378	3.0935	2.1726
C11	2.8192	2.5700	2.2208	1.5217	4.6156	4.6156	4.1894	3.9788	1.1039	1.1039		2.1859	2.1946	2.1946	1.5455
H12	3.7291	4.0878	4.3896	3.5256	6.0879	6.0879	6.0884	5.6046	2.4955	2.4955	2.1859		1.7785	1.7785	1.0987
H13	2.4296	2.9721	3.8883	2.8713	4.6529	4.9805	5.0500	4.4056	3.0935	2.5378	2.1946	1.7785		1.7794	1.0988
H14	2.4296	2.9721	3.8883	2.8713	4.9805	4.6529	5.0500	4.4056	2.5378	3.0935	2.1946	1.7785	1.7794		1.0988
C15	2.6430	3.0033	3.5657	2.5901	5.0050	5.0050	5.0506	4.5182	2.1726	2.1726	1.5455	1.0987	1.0988	1.0988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.905	H1	C2	C8	115.839
C2	C4	H3	118.360	C2	C4	C11	126.571
C2	C8	H5	111.363	C2	C8	H6	111.363
C2	C8	H7	110.606	H3	C4	C11	115.069
C4	C2	C8	124.255	C4	C11	H9	108.753
C4	C11	H10	108.753	C4	C11	C15	115.225
H5	C8	H6	107.336	H5	C8	H7	108.008
H6	C8	H7	108.008	H9	C11	H10	105.604
H9	C11	C15	109.037	H10	C11	C15	109.037
C11	C15	H12	110.375	C11	C15	H13	111.054
C11	C15	H14	111.054	H12	C15	H13	108.054
H12	C15	H14	108.054	H13	C15	H14	108.134

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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