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	hartrees
Energy at 0K	-154.231058
Energy at 298.15K	-154.233151
HF Energy	-153.688962
Nuclear repulsion energy	88.757582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3203	3006	0.00
2	A_g	2240	2102	0.00
3	A_g	1519	1426	0.00
4	A_g	919	862	0.00
5	A_u	786	738	0.00
6	B_1u	3206	3008	4.40
7	B_1u	1723	1617	3.98
8	B_1u	1455	1365	0.00
9	B_2g	893	838	0.00
10	B_2g	528	495	0.00
11	B_2u	3285	3082	8.46
12	B_2u	1077	1011	0.16
13	B_2u	232	217	5.41
14	B_3g	3285	3082	0.00
15	B_3g	1053	988	0.00
16	B_3g	359	337	0.00
17	B_3u	897	841	103.42
18	B_3u	231	217	3.08

Atom	y (Å)	z (Å)
C1	0.000	0.637
C2	0.000	-0.637
C3	0.000	1.956
C4	0.000	-1.956
H5	0.927	2.525
H6	-0.927	2.525
H7	0.927	-2.525
H8	-0.927	-2.525

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2746	1.3189	2.5936	2.1024	2.1024	3.2949	3.2949
C2	1.2746		2.5936	1.3189	3.2949	3.2949	2.1024	2.1024
C3	1.3189	2.5936		3.9125	1.0870	1.0870	4.5756	4.5756
C4	2.5936	1.3189	3.9125		4.5756	4.5756	1.0870	1.0870
H5	2.1024	3.2949	1.0870	4.5756		1.8531	5.0491	5.3785
H6	2.1024	3.2949	1.0870	4.5756	1.8531		5.3785	5.0491
H7	3.2949	2.1024	4.5756	1.0870	5.0491	5.3785		1.8531
H8	3.2949	2.1024	4.5756	1.0870	5.3785	5.0491	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.523
C1	C3	H6	121.523	C2	C1	C3	180.000
C2	C4	H7	121.523	C2	C4	H8	121.523
H5	C3	H6	116.953	H7	C4	H8	116.953

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: MP3=FULL/6-31G*

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=FULL/6-31G*

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)