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	hartrees
Energy at 0K	-196.485048
Energy at 298.15K	-196.495042
HF Energy	-196.485048
Nuclear repulsion energy	170.488264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3087	3040	33.07
2	A'	3054	3008	29.36
3	A'	3048	3001	38.59
4	A'	3041	2994	16.59
5	A'	2979	2934	28.27
6	A'	2958	2913	48.19
7	A'	2942	2897	40.25
8	A'	1691	1665	0.16
9	A'	1479	1456	4.39
10	A'	1463	1441	10.68
11	A'	1444	1422	3.45
12	A'	1385	1364	5.16
13	A'	1381	1360	0.06
14	A'	1349	1328	10.08
15	A'	1313	1292	0.97
16	A'	1294	1274	0.16
17	A'	1122	1105	0.37
18	A'	1064	1048	7.16
19	A'	1018	1003	1.61
20	A'	934	920	8.36
21	A'	841	828	0.01
22	A'	574	565	0.55
23	A'	361	355	0.28
24	A'	200	197	0.35
25	A"	3043	2996	37.41
26	A"	3001	2955	23.85
27	A"	2957	2911	18.99
28	A"	1471	1449	6.67
29	A"	1448	1426	5.67
30	A"	1266	1246	0.37
31	A"	1082	1066	1.82
32	A"	1043	1027	0.48
33	A"	978	963	33.32
34	A"	811	798	1.82
35	A"	695	684	0.37
36	A"	290	286	1.93
37	A"	215	212	0.30
38	A"	193	190	2.78
39	A"	115	113	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.730	-1.233	0.000
C2	-0.982	-0.173	0.000
H3	-0.276	1.790	0.000
C4	0.000	0.732	0.000
H5	-2.948	-0.272	0.880
H6	-2.948	-0.272	-0.880
H7	-2.617	1.233	0.000
C8	-2.446	0.152	0.000
H9	1.924	0.966	-0.871
H10	1.924	0.966	0.871
C11	1.480	0.462	0.000
H12	2.983	-1.104	0.000
H13	1.510	-1.530	0.885
H14	1.510	-1.530	-0.885
C15	1.892	-1.009	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0897	3.0570	2.0970	2.5722	2.5722	3.1058	2.2058	3.5556	3.5556	2.7850	3.7146	2.4266	2.4266	2.6316
C2	1.0897		2.0860	1.3357	2.1560	2.1560	2.1568	1.5000	3.2408	3.2408	2.5420	4.0720	2.9719	2.9719	2.9930
H3	3.0570	2.0860		1.0924	3.4879	3.4879	2.4063	2.7188	2.5052	2.5052	2.2006	4.3572	3.8715	3.8715	3.5401
C4	2.0970	1.3357	1.0924		3.2360	3.2360	2.6641	2.5139	2.1253	2.1253	1.5041	3.5024	2.8602	2.8602	2.5718
H5	2.5722	2.1560	3.4879	3.2360		1.7591	1.7750	1.0979	5.3231	5.0269	4.5731	6.0524	4.6318	4.9564	4.9740
H6	2.5722	2.1560	3.4879	3.2360	1.7591		1.7750	1.0979	5.0269	5.3231	4.5731	6.0524	4.9564	4.6318	4.9740
H7	3.1058	2.1568	2.4063	2.6641	1.7750	1.7750		1.0946	4.6315	4.6315	4.1682	6.0673	5.0446	5.0446	5.0358
C8	2.2058	1.5000	2.7188	2.5139	1.0979	1.0979	1.0946		4.5301	4.5301	3.9378	5.5719	4.3890	4.3890	4.4910
H9	3.5556	3.2408	2.5052	2.1253	5.3231	5.0269	4.6315	4.5301		1.7425	1.1005	2.4827	3.0797	2.5301	2.1594
H10	3.5556	3.2408	2.5052	2.1253	5.0269	5.3231	4.6315	4.5301	1.7425		1.1005	2.4827	2.5301	3.0797	2.1594
C11	2.7850	2.5420	2.2006	1.5041	4.5731	4.5731	4.1682	3.9378	1.1005	1.1005		2.1704	2.1796	2.1796	1.5281
H12	3.7146	4.0720	4.3572	3.5024	6.0524	6.0524	6.0673	5.5719	2.4827	2.4827	2.1704		1.7698	1.7698	1.0944
H13	2.4266	2.9719	3.8715	2.8602	4.6318	4.9564	5.0446	4.3890	3.0797	2.5301	2.1796	1.7698		1.7695	1.0952
H14	2.4266	2.9719	3.8715	2.8602	4.9564	4.6318	5.0446	4.3890	2.5301	3.0797	2.1796	1.7698	1.7695		1.0952
C15	2.6316	2.9930	3.5401	2.5718	4.9740	4.9740	5.0358	4.4910	2.1594	2.1594	1.5281	1.0944	1.0952	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.329	H1	C2	C8	115.896
C2	C4	H3	118.088	C2	C4	C11	126.950
C2	C8	H5	111.231	C2	C8	H6	111.231
C2	C8	H7	111.497	H3	C4	C11	114.963
C4	C2	C8	124.776	C4	C11	H9	108.372
C4	C11	H10	108.372	C4	C11	C15	116.022
H5	C8	H6	106.473	H5	C8	H7	108.100
H6	C8	H7	108.100	H9	C11	H10	104.685
H9	C11	C15	109.392	H10	C11	C15	109.392
C11	C15	H12	110.615	C11	C15	H13	111.304
C11	C15	H14	111.304	H12	C15	H13	107.848
H12	C15	H14	107.848	H13	C15	H14	107.770

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

using model chemistry: B97D3/aug-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	0.107
2	C	-0.118
3	H	0.070
4	C	-0.269
5	H	0.149
6	H	0.149
7	H	0.163
8	C	-0.485
9	H	0.120
10	H	0.120
11	C	0.091
12	H	0.010
13	H	0.154
14	H	0.154
15	C	-0.417

	x	y	z	Total
	0.113	0.012	0.000	0.114
CHELPG
AIM
ESP

	x	y	z
x	12.675	0.409	0.000
y	0.409	9.608	0.000
z	0.000	0.000	7.855

<r²>	172.539
(<r²>)^1/2	13.135

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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