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	hartrees
Energy at 0K	-154.269509
Energy at 298.15K	-154.271512
HF Energy	-153.726307
Nuclear repulsion energy	88.575539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3008	0.00
2	A_g	2180	2072	0.00
3	A_g	1477	1404	0.00
4	A_g	886	842	0.00
5	A_u	783	744	0.00
6	B_1u	3167	3010	1.79
7	B_1u	1660	1577	3.99
8	B_1u	1418	1347	0.46
9	B_2g	851	809	0.00
10	B_2g	510	485	0.00
11	B_2u	3259	3096	3.71
12	B_2u	1044	992	0.30
13	B_2u	221	210	6.84
14	B_3g	3259	3097	0.00
15	B_3g	1013	962	0.00
16	B_3g	325	309	0.00
17	B_3u	854	812	91.79
18	B_3u	225	214	5.18

Atom	y (Å)	z (Å)
C1	0.000	0.637
C2	0.000	-0.637
C3	0.000	1.962
C4	0.000	-1.962
H5	0.931	2.522
H6	-0.931	2.522
H7	0.931	-2.522
H8	-0.931	-2.522

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2734	1.3248	2.5983	2.1023	2.1023	3.2927	3.2927
C2	1.2734		2.5983	1.3248	3.2927	3.2927	2.1023	2.1023
C3	1.3248	2.5983		3.9231	1.0865	1.0865	4.5788	4.5788
C4	2.5983	1.3248	3.9231		4.5788	4.5788	1.0865	1.0865
H5	2.1023	3.2927	1.0865	4.5788		1.8619	5.0432	5.3760
H6	2.1023	3.2927	1.0865	4.5788	1.8619		5.3760	5.0432
H7	3.2927	2.1023	4.5788	1.0865	5.0432	5.3760		1.8619
H8	3.2927	2.1023	4.5788	1.0865	5.3760	5.0432	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.031
C1	C3	H6	121.031	C2	C1	C3	180.000
C2	C4	H7	121.031	C2	C4	H8	121.031
H5	C3	H6	117.938	H7	C4	H8	117.938

All results from a given calculation for H₂CCCCH₂ (Butatriene)

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 H2CCCCH2 (Butatriene)

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

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)