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	hartrees
Energy at 0K	-154.280569
Energy at 298.15K	-154.282171
HF Energy	-153.741193
Nuclear repulsion energy	88.910103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3180	3014	0.00
2	A_g	2187	2073	0.00
3	A_g	1493	1416	0.00
4	A_g	893	847	0.00
5	A_u	786	745	0.00
6	B_1u	3182	3016	2.25
7	B_1u	1668	1582	7.14
8	B_1u	1432	1358	0.23
9	B_2g	786	745	0.00
10	B_2g	269	255	0.00
11	B_2u	3271	3101	2.59
12	B_2u	1045	991	0.43
13	B_2u	214	203	8.06
14	B_3g	3272	3101	0.00
15	B_3g	1008	956	0.00
16	B_3g	271	257	0.00
17	B_3u	786	745	104.74
18	B_3u	193	183	4.52

Atom	y (Å)	z (Å)
C1	0.000	0.634
C2	0.000	-0.634
C3	0.000	1.954
C4	0.000	-1.954
H5	0.927	2.513
H6	-0.927	2.513
H7	0.927	-2.513
H8	-0.927	-2.513

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2687	1.3195	2.5881	2.0952	2.0952	3.2813	3.2813
C2	1.2687		2.5881	1.3195	3.2813	3.2813	2.0952	2.0952
C3	1.3195	2.5881		3.9076	1.0830	1.0830	4.5622	4.5622
C4	2.5881	1.3195	3.9076		4.5622	4.5622	1.0830	1.0830
H5	2.0952	3.2813	1.0830	4.5622		1.8547	5.0264	5.3576
H6	2.0952	3.2813	1.0830	4.5622	1.8547		5.3576	5.0264
H7	3.2813	2.0952	4.5622	1.0830	5.0264	5.3576		1.8547
H8	3.2813	2.0952	4.5622	1.0830	5.3576	5.0264	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.099
C1	C3	H6	121.099	C2	C1	C3	180.000
C2	C4	H7	121.099	C2	C4	H8	121.099
H5	C3	H6	117.803	H7	C4	H8	117.803

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)