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	hartrees
Energy at 0K	-154.245073
Energy at 298.15K
HF Energy	-153.696375
Nuclear repulsion energy	88.776569

Atom	y (Å)	z (Å)
C1	0.000	0.638
C2	0.000	-0.638
C3	0.000	1.958
C4	0.000	-1.958
H5	0.923	2.522
H6	-0.923	2.522
H7	0.923	-2.522
H8	-0.923	-2.522

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2761	1.3201	2.5962	2.0976	2.0976	3.2918	3.2918
C2	1.2761		2.5962	1.3201	3.2918	3.2918	2.0976	2.0976
C3	1.3201	2.5962		3.9163	1.0813	1.0813	4.5739	4.5739
C4	2.5962	1.3201	3.9163		4.5739	4.5739	1.0813	1.0813
H5	2.0976	3.2918	1.0813	4.5739		1.8458	5.0434	5.3705
H6	2.0976	3.2918	1.0813	4.5739	1.8458		5.3705	5.0434
H7	3.2918	2.0976	4.5739	1.0813	5.0434	5.3705		1.8458
H8	3.2918	2.0976	4.5739	1.0813	5.3705	5.0434	1.8458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.409
C1	C3	H6	121.409	C2	C1	C3	180.000
C2	C4	H7	121.409	C2	C4	H8	121.409
H5	C3	H6	117.182	H7	C4	H8	117.182

All results from a given calculation for H₂CCCCH₂ (Butatriene)

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 H2CCCCH2 (Butatriene)

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

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)