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	hartrees
Energy at 0K	-155.460802
Energy at 298.15K
HF Energy	-154.914049
Nuclear repulsion energy	102.139479

Atom	x (Å)	y (Å)	z (Å)
C1	-0.695	1.831	0.000
C2	0.000	0.713	0.000
C3	0.692	-0.407	0.000
C4	0.075	-1.781	0.000
H5	-0.990	2.307	0.926
H6	-0.990	2.307	-0.926
H7	1.776	-0.342	0.000
H8	-1.011	-1.716	0.000
H9	0.389	-2.344	-0.880
H10	0.389	-2.344	0.880

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3169	2.6337	3.6939	1.0824	1.0824	3.2908	3.5614	4.4028	4.4028
C2	1.3169		1.3168	2.4953	2.0930	2.0930	2.0657	2.6308	3.2049	3.2049
C3	2.6337	1.3168		1.5061	3.3253	3.3253	1.0860	2.1480	2.1490	2.1490
C4	3.6939	2.4953	1.5061		4.3255	4.3255	2.2284	1.0884	1.0910	1.0910
H5	1.0824	2.0930	3.3253	4.3255		1.8526	3.9405	4.1286	5.1770	4.8517
H6	1.0824	2.0930	3.3253	4.3255	1.8526		3.9405	4.1286	4.8517	5.1770
H7	3.2908	2.0657	1.0860	2.2284	3.9405	3.9405		3.1078	2.5903	2.5903
H8	3.5614	2.6308	2.1480	1.0884	4.1286	4.1286	3.1078		1.7691	1.7691
H9	4.4028	3.2049	2.1490	1.0910	5.1770	4.8517	2.5903	1.7691		1.7609
H10	4.4028	3.2049	2.1490	1.0910	4.8517	5.1770	2.5903	1.7691	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.865	C2	C1	H5	121.151
C2	C1	H6	121.151	C2	C3	C4	124.105
C2	C3	H7	118.249	C3	C4	H8	110.736
C3	C4	H9	110.663	C3	C4	H10	110.663
C4	C3	H7	117.646	H5	C1	H6	117.698
H8	C4	H9	108.534	H8	C4	H10	108.534
H9	C4	H10	107.615

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)

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 CH2CCHCH3 (1,2-Butadiene)

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

States and conformations

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)