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	hartrees
Energy at 0K	-33.612665
Energy at 298.15K	-33.622642
HF Energy	-33.163647
Nuclear repulsion energy	94.712271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3106	3032	38.61
2	A'	3070	2996	44.83
3	A'	3068	2995	58.36
4	A'	3061	2987	18.82
5	A'	2969	2897	24.98
6	A'	2957	2886	49.22
7	A'	2955	2884	52.83
8	A'	1667	1627	0.02
9	A'	1534	1498	6.68
10	A'	1532	1495	9.18
11	A'	1516	1480	1.30
12	A'	1458	1423	5.24
13	A'	1448	1413	3.72
14	A'	1402	1369	6.49
15	A'	1344	1311	0.68
16	A'	1333	1301	0.29
17	A'	1154	1126	0.99
18	A'	1091	1064	2.39
19	A'	1044	1019	1.08
20	A'	951	929	5.99
21	A'	851	831	0.07
22	A'	569	555	0.51
23	A'	361	353	0.14
24	A'	207	202	0.21
25	A"	3072	2999	56.44
26	A"	3046	2973	38.44
27	A"	3005	2933	26.77
28	A"	1527	1490	7.03
29	A"	1494	1458	7.39
30	A"	1281	1250	0.60
31	A"	1130	1103	2.37
32	A"	1074	1048	0.48
33	A"	965	941	41.25
34	A"	820	801	2.56
35	A"	691	674	0.10
36	A"	290	283	2.10
37	A"	213	208	2.56
38	A"	175	171	0.82
39	A"	83	81	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	-0.739	-1.257	0.000
C2	-0.995	-0.190	0.000
H3	-0.288	1.817	0.000
C4	0.000	0.755	0.000
H5	-2.994	-0.273	0.891
H6	-2.994	-0.273	-0.891
H7	-2.645	1.238	0.000
C8	-2.492	0.145	0.000
H9	1.963	0.977	-0.886
H10	1.963	0.977	0.886
C11	1.516	0.484	0.000
H12	3.014	-1.128	0.000
H13	1.525	-1.541	0.895
H14	1.525	-1.541	-0.895
C15	1.916	-1.026	0.000

	H1	C2	H3	C4	H5	H6	H7	C8	H9	H10	C11	H12	H13	H14	C15
H1		1.0975	3.1075	2.1437	2.6171	2.6171	3.1405	2.2454	3.6159	3.6159	2.8489	3.7553	2.4504	2.4504	2.6646
C2	1.0975		2.1283	1.3723	2.1904	2.1904	2.1827	1.5345	3.3008	3.3008	2.5999	4.1175	2.9956	2.9956	3.0286
H3	3.1075	2.1283		1.1007	3.5336	3.5336	2.4272	2.7666	2.5612	2.5612	2.2436	4.4251	3.9199	3.9199	3.5980
C4	2.1437	1.3723	1.1007		3.2888	3.2888	2.6891	2.5658	2.1650	2.1650	1.5402	3.5541	2.8977	2.8977	2.6162
H5	2.6171	2.1904	3.5336	3.2888		1.7819	1.7888	1.1049	5.4123	5.1123	4.6594	6.1341	4.6935	5.0216	5.0468
H6	2.6171	2.1904	3.5336	3.2888	1.7819		1.7888	1.1049	5.1123	5.4123	4.6594	6.1341	5.0216	4.6935	5.0468
H7	3.1405	2.1827	2.4272	2.6891	1.7888	1.7888		1.1037	4.7000	4.7000	4.2293	6.1344	5.0906	5.0906	5.0925
C8	2.2454	1.5345	2.7666	2.5658	1.1049	1.1049	1.1037		4.6180	4.6180	4.0227	5.6519	4.4475	4.4475	4.5612
H9	3.6159	3.3008	2.5612	2.1650	5.4123	5.1123	4.7000	4.6180		1.7718	1.1078	2.5137	3.1144	2.5554	2.1908
H10	3.6159	3.3008	2.5612	2.1650	5.1123	5.4123	4.7000	4.6180	1.7718		1.1078	2.5137	2.5554	3.1144	2.1908
C11	2.8489	2.5999	2.2436	1.5402	4.6594	4.6594	4.2293	4.0227	1.1078	1.1078		2.2006	2.2136	2.2136	1.5624
H12	3.7553	4.1175	4.4251	3.5541	6.1341	6.1341	6.1344	5.6519	2.5137	2.5137	2.2006		1.7859	1.7859	1.1032
H13	2.4504	2.9956	3.9199	2.8977	4.6935	5.0216	5.0906	4.4475	3.1144	2.5554	2.2136	1.7859		1.7891	1.1035
H14	2.4504	2.9956	3.9199	2.8977	5.0216	4.6935	5.0906	4.4475	2.5554	3.1144	2.2136	1.7859	1.7891		1.1035
C15	2.6646	3.0286	3.5980	2.6162	5.0468	5.0468	5.0925	4.5612	2.1908	2.1908	1.5624	1.1032	1.1035	1.1035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.034	H1	C2	C8	116.121
C2	C4	H3	118.350	C2	C4	C11	126.330
C2	C8	H5	111.132	C2	C8	H6	111.132
C2	C8	H7	110.595	H3	C4	C11	115.320
C4	C2	C8	123.845	C4	C11	H9	108.592
C4	C11	H10	108.592	C4	C11	C15	114.963
H5	C8	H6	107.488	H5	C8	H7	108.182
H6	C8	H7	108.182	H9	C11	H10	106.198
H9	C11	C15	109.069	H10	C11	C15	109.069
C11	C15	H12	110.097	C11	C15	H13	111.098
C11	C15	H14	111.098	H12	C15	H13	108.061
H12	C15	H14	108.061	H13	C15	H14	108.316

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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