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	hartrees
Energy at 0K	-155.507024
Energy at 298.15K
HF Energy	-154.929525
Nuclear repulsion energy	103.729942

Atom	x (Å)	y (Å)
C1	-0.339	0.644
C2	0.339	-0.644
C3	0.339	1.805
C4	-0.339	-1.805
H5	-1.412	0.660
H6	1.412	-0.660
H7	-0.180	2.744
H8	1.414	1.805
H9	0.180	-2.744
H10	-1.414	-1.805

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4563	1.3442	2.4496	1.0735	2.1837	2.1059	2.1023	3.4283	2.6753
C2	1.4563		2.4496	1.3442	2.1837	1.0735	3.4283	2.6753	2.1059	2.1023
C3	1.3442	2.4496		3.6734	2.0925	2.6887	1.0732	1.0747	4.5523	4.0135
C4	2.4496	1.3442	3.6734		2.6887	2.0925	4.5523	4.0135	1.0732	1.0747
H5	1.0735	2.1837	2.0925	2.6887		3.1179	2.4213	3.0494	3.7584	2.4654
H6	2.1837	1.0735	2.6887	2.0925	3.1179		3.7584	2.4654	2.4213	3.0494
H7	2.1059	3.4283	1.0732	4.5523	2.4213	3.7584		1.8499	5.5005	4.7141
H8	2.1023	2.6753	1.0747	4.0135	3.0494	2.4654	1.8499		4.7141	4.5862
H9	3.4283	2.1059	4.5523	1.0732	3.7584	2.4213	5.5005	4.7141		1.8499
H10	2.6753	2.1023	4.0135	1.0747	2.4654	3.0494	4.7141	4.5862	1.8499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.970	C1	C2	H6	118.572
C1	C3	H7	120.777	C1	C3	H8	120.306
C2	C1	C3	121.970	C2	C1	H5	118.572
C2	C4	H9	120.777	C2	C4	H10	120.306
C3	C1	H5	119.459	C4	C2	H6	119.459
H7	C3	H8	118.917	H9	C4	H10	118.917

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)

using model chemistry: MP3/6-31+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 CH2CHCHCH2 (1,3-Butadiene)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)