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	hartrees
Energy at 0K	-194.722296
Energy at 298.15K	-194.729646
HF Energy	-194.006518
Nuclear repulsion energy	153.143119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3117	12.04
2	A	3186	3027	10.46
3	A	3177	3019	40.77
4	A	3174	3016	6.40
5	A	3166	3009	2.05
6	A	3159	3002	4.00
7	A	3063	2911	28.30
8	A	1721	1635	7.26
9	A	1657	1574	3.03
10	A	1513	1438	8.34
11	A	1460	1387	3.73
12	A	1425	1354	3.46
13	A	1332	1266	2.75
14	A	1317	1252	0.17
15	A	1293	1229	1.40
16	A	1216	1156	0.73
17	A	1117	1061	0.06
18	A	994	945	7.24
19	A	914	868	3.87
20	A	483	459	0.01
21	A	452	429	0.24
22	A	195	186	1.40
23	A	3136	2980	18.17
24	A	1495	1421	6.93
25	A	1065	1012	0.30
26	A	1032	980	52.02
27	A	966	918	5.73
28	A	880	836	38.57
29	A	806	766	2.60
30	A	628	597	2.09
31	A	247	235	2.70
32	A	202	192	0.00
33	A	125	119	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-2.416	0.789	0.000
C2	-1.413	-0.109	0.000
C3	0.000	0.251	0.000
C4	1.002	-0.650	0.000
C5	2.460	-0.301	0.000
H6	-2.211	1.856	0.000
H7	-3.455	0.478	0.000
H8	-1.648	-1.173	0.000
H9	0.240	1.315	0.000
H10	0.745	-1.710	0.000
H11	2.604	0.783	0.000
H12	2.962	-0.715	0.882
H13	2.962	-0.715	-0.882

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3459	2.4750	3.7083	4.9965	1.0866	1.0845	2.1071	2.7077	4.0300	5.0196	5.6537	5.6537
C2	1.3459		1.4583	2.4750	3.8784	2.1210	2.1243	1.0897	2.1822	2.6879	4.1148	4.5046	4.5046
C3	2.4750	1.4583		1.3475	2.5216	2.7325	3.4622	2.1779	1.0909	2.0981	2.6576	3.2383	3.2383
C4	3.7083	2.4750	1.3475		1.4996	4.0750	4.5973	2.7009	2.1075	1.0908	2.1492	2.1506	2.1506
C5	4.9965	3.8784	2.5216	1.4996		5.1457	5.9663	4.1997	2.7460	2.2195	1.0935	1.0957	1.0957
H6	1.0866	2.1210	2.7325	4.0750	5.1457		1.8562	3.0813	2.5106	4.6328	4.9332	5.8443	5.8443
H7	1.0845	2.1243	3.4622	4.5973	5.9663	1.8562		2.4478	3.7887	4.7362	6.0662	6.5865	6.5865
H8	2.1071	1.0897	2.1779	2.7009	4.1997	3.0813	2.4478		3.1234	2.4530	4.6800	4.7161	4.7161
H9	2.7077	2.1822	1.0909	2.1075	2.7460	2.5106	3.7887	3.1234		3.0672	2.4226	3.5083	3.5083
H10	4.0300	2.6879	2.0981	1.0908	2.2195	4.6328	4.7362	2.4530	3.0672		3.1095	2.5850	2.5850
H11	5.0196	4.1148	2.6576	2.1492	1.0935	4.9332	6.0662	4.6800	2.4226	3.1095		1.7746	1.7746
H12	5.6537	4.5046	3.2383	2.1506	1.0957	5.8443	6.5865	4.7161	3.5083	2.5850	1.7746		1.7631
H13	5.6537	4.5046	3.2383	2.1506	1.0957	5.8443	6.5865	4.7161	3.5083	2.5850	1.7746	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.860	C1	C2	H8	119.419
C2	C1	H6	121.003	C2	C1	H7	121.486
C2	C3	C4	123.750	C2	C3	H9	117.014
C3	C2	H8	116.721	C3	C4	C5	124.583
C3	C4	H10	118.369	C4	C3	H9	119.236
C4	C5	H11	110.991	C4	C5	H12	110.965
C4	C5	H13	110.965	C5	C4	H10	117.048
H6	C1	H7	117.511	H11	C5	H12	108.320
H11	C5	H13	108.320	H12	C5	H13	107.139

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (E)-)

using model chemistry: MP2/6-311G**

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 C5H8 (1,3-Pentadiene, (E)-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (E)-)