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	hartrees
Energy at 0K	-194.669694
Energy at 298.15K
HF Energy	-193.977753
Nuclear repulsion energy	153.274525

Atom	x (Å)	y (Å)	z (Å)
C1	-2.414	0.795	0.000
C2	-1.412	-0.106	0.000
C3	0.000	0.250	0.000
C4	1.002	-0.653	0.000
C5	2.458	-0.306	0.000
H6	-2.212	1.859	0.000
H7	-3.450	0.487	0.000
H8	-1.651	-1.166	0.000
H9	0.241	1.310	0.000
H10	0.747	-1.710	0.000
H11	2.601	0.774	0.000
H12	2.959	-0.718	0.878
H13	2.959	-0.718	-0.878

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3474	2.4748	3.7103	4.9949	1.0829	1.0808	2.1042	2.7048	4.0339	5.0154	5.6509	5.6509
C2	1.3474		1.4562	2.4753	3.8753	2.1216	2.1221	1.0865	2.1771	2.6904	4.1090	4.5007	4.5007
C3	2.4748	1.4562		1.3489	2.5201	2.7355	3.4579	2.1747	1.0877	2.0979	2.6538	3.2351	3.2351
C4	3.7103	2.4753	1.3489		1.4970	4.0794	4.5954	2.7019	2.1058	1.0874	2.1440	2.1465	2.1465
C5	4.9949	3.8753	2.5201	1.4970		5.1475	5.9608	4.1979	2.7434	2.2134	1.0899	1.0918	1.0918
H6	1.0829	2.1216	2.7355	4.0794	5.1475		1.8481	3.0765	2.5139	4.6368	4.9341	5.8442	5.8442
H7	1.0808	2.1221	3.4579	4.5954	5.9608	1.8481		2.4428	3.7819	4.7375	6.0581	6.5803	6.5803
H8	2.1042	1.0865	2.1747	2.7019	4.1979	3.0765	2.4428		3.1164	2.4593	4.6741	4.7146	4.7146
H9	2.7048	2.1771	1.0877	2.1058	2.7434	2.5139	3.7819	3.1164		3.0629	2.4202	3.5032	3.5032
H10	4.0339	2.6904	2.0979	1.0874	2.2134	4.6368	4.7375	2.4593	3.0629		3.1004	2.5789	2.5789
H11	5.0154	4.1090	2.6538	2.1440	1.0899	4.9341	6.0581	4.6741	2.4202	3.1004		1.7679	1.7679
H12	5.6509	4.5007	3.2351	2.1465	1.0918	5.8442	6.5803	4.7146	3.5032	2.5789	1.7679		1.7563
H13	5.6509	4.5007	3.2351	2.1465	1.0918	5.8442	6.5803	4.7146	3.5032	2.5789	1.7679	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.890	C1	C2	H8	119.278
C2	C1	H6	121.226	C2	C1	H7	121.449
C2	C3	C4	123.834	C2	C3	H9	116.958
C3	C2	H8	116.833	C3	C4	C5	124.555
C3	C4	H10	118.489	C4	C3	H9	119.208
C4	C5	H11	110.976	C4	C5	H12	111.056
C4	C5	H13	111.056	C5	C4	H10	116.955
H6	C1	H7	117.325	H11	C5	H12	108.258
H11	C5	H13	108.258	H12	C5	H13	107.090

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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