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	hartrees
Energy at 0K	-194.064025
Energy at 298.15K	-194.074461
Nuclear repulsion energy	171.087760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3013	22.29
2	A'	3296	2975	24.07
3	A'	3258	2941	36.17
4	A'	3256	2939	18.54
5	A'	3200	2889	18.80
6	A'	3185	2875	34.57
7	A'	3183	2873	30.07
8	A'	1889	1705	0.13
9	A'	1679	1516	5.19
10	A'	1666	1504	10.27
11	A'	1650	1490	2.09
12	A'	1580	1426	3.31
13	A'	1572	1419	7.96
14	A'	1521	1373	5.71
15	A'	1488	1343	0.55
16	A'	1456	1314	1.86
17	A'	1243	1122	3.33
18	A'	1159	1047	3.74
19	A'	1112	1004	0.77
20	A'	1010	912	6.11
21	A'	892	805	0.08
22	A'	627	566	0.64
23	A'	401	362	0.22
24	A'	228	205	0.33
25	A"	3265	2947	41.16
26	A"	3226	2912	29.57
27	A"	3202	2890	17.31
28	A"	1674	1511	6.66
29	A"	1658	1496	8.19
30	A"	1439	1299	0.06
31	A"	1241	1120	2.11
32	A"	1209	1091	0.45
33	A"	1131	1020	43.58
34	A"	943	851	3.91
35	A"	804	725	1.01
36	A"	319	288	2.10
37	A"	236	213	1.84
38	A"	202	183	1.15
39	A"	120	108	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	-0.741	-1.209	0.000
C2	-0.970	-0.159	0.000
H3	-0.256	1.778	0.000
C4	0.000	0.731	0.000
H5	-2.933	-0.229	0.875
H6	-2.933	-0.229	-0.875
H7	-2.593	1.258	0.000
C8	-2.441	0.185	0.000
H9	1.929	0.931	-0.870
H10	1.929	0.931	0.870
C11	1.488	0.450	0.000
H12	2.950	-1.149	0.000
H13	1.481	-1.539	0.880
H14	1.481	-1.539	-0.880
C15	1.871	-1.040	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0747	3.0266	2.0772	2.5556	2.5556	3.0847	2.1983	3.5307	3.5307	2.7791	3.6915	2.4131	2.4131	2.6178
C2	1.0747		2.0646	1.3166	2.1507	2.1507	2.1548	1.5109	3.2166	3.2166	2.5322	4.0426	2.9472	2.9472	2.9744
H3	3.0266	2.0646		1.0778	3.4586	3.4586	2.3947	2.7043	2.4996	2.4996	2.1920	4.3411	3.8465	3.8465	3.5310
C4	2.0772	1.3166	1.0778		3.2080	3.2080	2.6463	2.5015	2.1253	2.1253	1.5142	3.4980	2.8499	2.8499	2.5766
H5	2.5556	2.1507	3.4586	3.2080		1.7508	1.7583	1.0861	5.2943	4.9983	4.5578	6.0183	4.6046	4.9278	4.9502
H6	2.5556	2.1507	3.4586	3.2080	1.7508		1.7583	1.0861	4.9983	5.2943	4.5578	6.0183	4.9278	4.6046	4.9502
H7	3.0847	2.1548	2.3947	2.6463	1.7583	1.7583		1.0836	4.6167	4.6167	4.1605	6.0430	5.0198	5.0198	5.0211
C8	2.1983	1.5109	2.7043	2.5015	1.0861	1.0861	1.0836		4.5176	4.5176	3.9380	5.5533	4.3738	4.3738	4.4828
H9	3.5307	3.2166	2.4996	2.1253	5.2943	4.9983	4.6167	4.5176		1.7398	1.0872	2.4749	3.0597	2.5100	2.1553
H10	3.5307	3.2166	2.4996	2.1253	4.9983	5.2943	4.6167	4.5176	1.7398		1.0872	2.4749	2.5100	3.0597	2.1553
C11	2.7791	2.5322	2.1920	1.5142	4.5578	4.5578	4.1605	3.9380	1.0872	1.0872		2.1666	2.1751	2.1751	1.5389
H12	3.6915	4.0426	4.3411	3.4980	6.0183	6.0183	6.0430	5.5533	2.4749	2.4749	2.1666		1.7557	1.7557	1.0841
H13	2.4131	2.9472	3.8465	2.8499	4.6046	4.9278	5.0198	4.3738	3.0597	2.5100	2.1751	1.7557		1.7597	1.0838
H14	2.4131	2.9472	3.8465	2.8499	4.9278	4.6046	5.0198	4.3738	2.5100	3.0597	2.1751	1.7557	1.7597		1.0838
C15	2.6178	2.9744	3.5310	2.5766	4.9502	4.9502	5.0211	4.4828	2.1553	2.1553	1.5389	1.0841	1.0838	1.0838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.277	H1	C2	C8	115.433
C2	C4	H3	118.811	C2	C4	C11	126.752
C2	C8	H5	110.756	C2	C8	H6	110.756
C2	C8	H7	111.240	H3	C4	C11	114.437
C4	C2	C8	124.289	C4	C11	H9	108.444
C4	C11	H10	108.444	C4	C11	C15	115.109
H5	C8	H6	107.412	H5	C8	H7	108.272
H6	C8	H7	108.272	H9	C11	H10	106.283
H9	C11	C15	109.100	H10	C11	C15	109.100
C11	C15	H12	110.173	C11	C15	H13	110.861
C11	C15	H14	110.861	H12	C15	H13	108.157
H12	C15	H14	108.157	H13	C15	H14	108.542

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

using model chemistry: HF/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	CHELPG
1	H	0.218	0.128
2	C	-0.238	-0.117
3	H	0.209	0.157
4	C	-0.194	-0.322
5	H	0.210	0.050
6	H	0.210	0.050
7	H	0.207	0.056
8	C	-0.618	-0.123
9	H	0.218	-0.004
10	H	0.218	-0.004
11	C	-0.462	0.189
12	H	0.203	0.054
13	H	0.204	0.059
14	H	0.204	0.059
15	C	-0.590	-0.230

	x	y	z	Total
	0.064	0.003	0.000	0.064
CHELPG	0.043	0.020	0.000	0.048
AIM
ESP

	x	y	z
x	9.408	0.814	0.000
y	0.814	7.273	0.000
z	0.000	0.000	5.140

<r²>	171.584
(<r²>)^1/2	13.099

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

using model chemistry: HF/3-21G*

States and conformations

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