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	hartrees
Energy at 0K	-196.405687
Energy at 298.15K	-196.415633
HF Energy	-196.405687
Nuclear repulsion energy	168.987491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3070	3046	39.32
2	A'	3037	3012	36.03
3	A'	3035	3010	39.13
4	A'	3027	3003	13.08
5	A'	2971	2947	23.76
6	A'	2945	2922	45.16
7	A'	2921	2897	41.81
8	A'	1695	1681	0.28
9	A'	1502	1490	3.71
10	A'	1487	1475	6.65
11	A'	1469	1457	0.86
12	A'	1405	1393	2.69
13	A'	1401	1389	1.05
14	A'	1356	1345	19.05
15	A'	1317	1306	0.77
16	A'	1298	1288	0.02
17	A'	1121	1112	1.30
18	A'	1056	1047	4.83
19	A'	1021	1013	1.63
20	A'	933	925	6.73
21	A'	835	829	0.01
22	A'	568	563	0.70
23	A'	356	353	0.21
24	A'	197	196	0.28
25	A"	3032	3007	40.85
26	A"	2983	2959	32.29
27	A"	2934	2911	28.67
28	A"	1492	1480	4.57
29	A"	1473	1461	4.67
30	A"	1270	1259	0.09
31	A"	1087	1078	1.01
32	A"	1045	1036	0.00
33	A"	986	978	19.58
34	A"	808	801	2.65
35	A"	693	688	0.30
36	A"	293	290	1.65
37	A"	219	218	0.02
38	A"	196	195	2.14
39	A"	120	119	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.755	-1.241	0.000
C2	-0.996	-0.171	0.000
H3	-0.266	1.803	0.000
C4	0.000	0.736	0.000
H5	-2.983	-0.264	0.886
H6	-2.983	-0.264	-0.886
H7	-2.646	1.250	0.000
C8	-2.475	0.161	0.000
H9	1.944	0.969	-0.877
H10	1.944	0.969	0.877
C11	1.496	0.462	0.000
H12	3.016	-1.115	0.000
H13	1.536	-1.549	0.891
H14	1.536	-1.549	-0.891
C15	1.917	-1.022	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0973	3.0835	2.1165	2.5894	2.5894	3.1274	2.2193	3.5968	3.5968	2.8227	3.7725	2.4773	2.4773	2.6809
C2	1.0973		2.1047	1.3470	2.1772	2.1772	2.1770	1.5158	3.2730	3.2730	2.5713	4.1213	3.0177	3.0177	3.0352
H3	3.0835	2.1047		1.1000	3.5263	3.5263	2.4429	2.7525	2.5203	2.5203	2.2147	4.3916	3.9094	3.9094	3.5710
C4	2.1165	1.3470	1.1000		3.2681	3.2681	2.6950	2.5410	2.1456	2.1456	1.5210	3.5384	2.8943	2.8943	2.6015
H5	2.5894	2.1772	3.5263	3.2681		1.7712	1.7854	1.1055	5.3759	5.0786	4.6229	6.1230	4.6986	5.0231	5.0369
H6	2.5894	2.1772	3.5263	3.2681	1.7712		1.7854	1.1055	5.0786	5.3759	4.6229	6.1230	5.0231	4.6986	5.0369
H7	3.1274	2.1770	2.4429	2.6950	1.7854	1.7854		1.1022	4.6812	4.6812	4.2160	6.1353	5.1105	5.1105	5.0973
C8	2.2193	1.5158	2.7525	2.5410	1.1055	1.1055	1.1022		4.5772	4.5772	3.9826	5.6370	4.4507	4.4507	4.5489
H9	3.5968	3.2730	2.5203	2.1456	5.3759	5.0786	4.6812	4.5772		1.7549	1.1078	2.5018	3.1037	2.5509	2.1760
H10	3.5968	3.2730	2.5203	2.1456	5.0786	5.3759	4.6812	4.5772	1.7549		1.1078	2.5018	2.5509	3.1037	2.1760
C11	2.8227	2.5713	2.2147	1.5210	4.6229	4.6229	4.2160	3.9826	1.1078	1.1078		2.1898	2.2001	2.2001	1.5430
H12	3.7725	4.1213	4.3916	3.5384	6.1230	6.1230	6.1353	5.6370	2.5018	2.5018	2.1898		1.7806	1.7806	1.1023
H13	2.4773	3.0177	3.9094	2.8943	4.6986	5.0231	5.1105	4.4507	3.1037	2.5509	2.2001	1.7806		1.7812	1.1027
H14	2.4773	3.0177	3.9094	2.8943	5.0231	4.6986	5.1105	4.4507	2.5509	3.1037	2.2001	1.7806	1.7812		1.1027
C15	2.6809	3.0352	3.5710	2.6015	5.0369	5.0369	5.0973	4.5489	2.1760	2.1760	1.5430	1.1023	1.1027	1.1027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.615	H1	C2	C8	115.344
C2	C4	H3	118.310	C2	C4	C11	127.302
C2	C8	H5	111.359	C2	C8	H6	111.359
C2	C8	H7	111.542	H3	C4	C11	114.387
C4	C2	C8	125.041	C4	C11	H9	108.381
C4	C11	H10	108.381	C4	C11	C15	116.216
H5	C8	H6	106.473	H5	C8	H7	107.941
H6	C8	H7	107.941	H9	C11	H10	104.756
H9	C11	C15	109.247	H10	C11	C15	109.247
C11	C15	H12	110.643	C11	C15	H13	111.438
C11	C15	H14	111.438	H12	C15	H13	107.708
H12	C15	H14	107.708	H13	C15	H14	107.734

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

using model chemistry: BLYP/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	0.096
2	C	-0.056
3	H	0.087
4	C	-0.073
5	H	0.137
6	H	0.137
7	H	0.135
8	C	-0.450
9	H	0.126
10	H	0.126
11	C	-0.255
12	H	0.126
13	H	0.135
14	H	0.135
15	C	-0.406

	x	y	z	Total
	0.090	-0.003	0.000	0.090
CHELPG
AIM
ESP

	x	y	z
x	10.837	0.606	0.000
y	0.606	8.004	0.000
z	0.000	0.000	5.816

<r²>	175.157
(<r²>)^1/2	13.235

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

using model chemistry: BLYP/6-31G*

States and conformations

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