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	hartrees
Energy at 0K	-194.518066
Energy at 298.15K	-194.528257
HF Energy	-194.061929
Nuclear repulsion energy	169.571286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3042	21.64
2	A'	3157	3013	28.07
3	A'	3145	3002	23.14
4	A'	3141	2998	12.11
5	A'	3086	2946	14.55
6	A'	3072	2932	22.93
7	A'	3068	2929	18.96
8	A'	1718	1640	0.16
9	A'	1609	1536	5.11
10	A'	1599	1527	8.56
11	A'	1584	1512	1.06
12	A'	1493	1425	3.12
13	A'	1490	1423	5.60
14	A'	1434	1369	4.90
15	A'	1393	1330	0.72
16	A'	1372	1310	1.60
17	A'	1172	1119	2.82
18	A'	1096	1046	3.02
19	A'	1063	1015	0.35
20	A'	965	921	5.51
21	A'	855	816	0.02
22	A'	590	564	0.95
23	A'	378	360	0.16
24	A'	217	207	0.24
25	A"	3164	3020	28.77
26	A"	3133	2990	21.30
27	A"	3098	2957	14.84
28	A"	1602	1529	5.63
29	A"	1586	1514	6.12
30	A"	1362	1300	0.00
31	A"	1174	1121	1.00
32	A"	1131	1080	0.09
33	A"	1031	984	33.09
34	A"	869	829	4.47
35	A"	732	699	0.35
36	A"	309	295	1.76
37	A"	220	210	1.48
38	A"	192	183	1.36
39	A"	112	107	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	-0.723	-1.237	0.000
C2	-0.975	-0.178	0.000
H3	-0.280	1.802	0.000
C4	0.000	0.746	0.000
H5	-2.953	-0.267	0.886
H6	-2.953	-0.267	-0.886
H7	-2.610	1.236	0.000
C8	-2.460	0.150	0.000
H9	1.945	0.959	-0.881
H10	1.945	0.959	0.881
C11	1.500	0.475	0.000
H12	2.972	-1.138	0.000
H13	1.484	-1.526	0.889
H14	1.484	-1.526	-0.889
C15	1.883	-1.026	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0887	3.0712	2.1109	2.5888	2.5888	3.1112	2.2232	3.5663	3.5663	2.8061	3.6967	2.3966	2.3966	2.6141
C2	1.0887		2.0983	1.3430	2.1699	2.1699	2.1621	1.5211	3.2550	3.2550	2.5594	4.0621	2.9413	2.9413	2.9806
H3	3.0712	2.0983		1.0923	3.4948	3.4948	2.3980	2.7350	2.5374	2.5374	2.2198	4.3838	3.8695	3.8695	3.5602
C4	2.1109	1.3430	1.0923		3.2456	3.2456	2.6558	2.5310	2.1461	2.1461	1.5242	3.5190	2.8553	2.8553	2.5856
H5	2.5888	2.1699	3.4948	3.2456		1.7723	1.7783	1.0968	5.3500	5.0499	4.6010	6.0546	4.6124	4.9422	4.9749
H6	2.5888	2.1699	3.4948	3.2456	1.7723		1.7783	1.0968	5.0499	5.3500	4.6010	6.0546	4.9422	4.6124	4.9749
H7	3.1112	2.1621	2.3980	2.6558	1.7783	1.7783		1.0961	4.6483	4.6483	4.1800	6.0663	5.0179	5.0179	5.0304
C8	2.2232	1.5211	2.7350	2.5310	1.0968	1.0968	1.0961		4.5647	4.5647	3.9732	5.5829	4.3764	4.3764	4.4992
H9	3.5663	3.2550	2.5374	2.1461	5.3500	5.0499	4.6483	4.5647		1.7615	1.0990	2.4951	3.0850	2.5269	2.1726
H10	3.5663	3.2550	2.5374	2.1461	5.0499	5.3500	4.6483	4.5647	1.7615		1.0990	2.4951	2.5269	3.0850	2.1726
C11	2.8061	2.5594	2.2198	1.5242	4.6010	4.6010	4.1800	3.9732	1.0990	1.0990		2.1839	2.1895	2.1895	1.5496
H12	3.6967	4.0621	4.3838	3.5190	6.0546	6.0546	6.0663	5.5829	2.4951	2.4951	2.1839		1.7766	1.7766	1.0954
H13	2.3966	2.9413	3.8695	2.8553	4.6124	4.9422	5.0179	4.3764	3.0850	2.5269	2.1895	1.7766		1.7780	1.0948
H14	2.3966	2.9413	3.8695	2.8553	4.9422	4.6124	5.0179	4.3764	2.5269	3.0850	2.1895	1.7766	1.7780		1.0948
C15	2.6141	2.9806	3.5602	2.5856	4.9749	4.9749	5.0304	4.4992	2.1726	2.1726	1.5496	1.0954	1.0948	1.0948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.102	H1	C2	C8	115.837
C2	C4	H3	118.630	C2	C4	C11	126.298
C2	C8	H5	110.928	C2	C8	H6	110.928
C2	C8	H7	110.347	H3	C4	C11	115.072
C4	C2	C8	124.061	C4	C11	H9	108.706
C4	C11	H10	108.706	C4	C11	C15	114.529
H5	C8	H6	107.791	H5	C8	H7	108.375
H6	C8	H7	108.375	H9	C11	H10	106.521
H9	C11	C15	109.039	H10	C11	C15	109.039
C11	C15	H12	110.136	C11	C15	H13	110.609
C11	C15	H14	110.609	H12	C15	H13	108.418
H12	C15	H14	108.418	H13	C15	H14	108.584

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.180	0.110
2	C	-0.182	-0.030
3	H	0.172	0.129
4	C	-0.148	-0.244
5	H	0.191	0.116
6	H	0.191	0.116
7	H	0.187	0.117
8	C	-0.574	-0.383
9	H	0.195	0.039
10	H	0.195	0.039
11	C	-0.423	0.027
12	H	0.182	0.065
13	H	0.184	0.064
14	H	0.184	0.064
15	C	-0.534	-0.229

	x	y	z	Total
	0.057	-0.016	0.000	0.059
CHELPG
AIM
ESP	0.037	-0.005	0.000	0.037

	x	y	z
x	9.149	0.541	0.000
y	0.541	7.203	0.000
z	0.000	0.000	5.174

<r²>	173.644
(<r²>)^1/2	13.177

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

using model chemistry: MP2/3-21G

States and conformations

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