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	hartrees
Energy at 0K	-154.303725
Energy at 298.15K	-154.305778
HF Energy	-153.708768
Nuclear repulsion energy	88.936503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3191	3014	0.00
2	A_g	2213	2090	0.00
3	A_g	1482	1400	0.00
4	A_g	898	848	0.00
5	A_u	791	747	0.00
6	B_1u	3193	3016	0.00
7	B_1u	1681	1588	2.25
8	B_1u	1423	1344	0.42
9	B_2g	884	835	0.00
10	B_2g	557	526	0.00
11	B_2u	3283	3101	0.93
12	B_2u	1051	993	0.27
13	B_2u	223	211	5.58
14	B_3g	3283	3101	0.00
15	B_3g	1021	964	0.00
16	B_3g	318	300	0.00
17	B_3u	886	837	82.96
18	B_3u	229	217	3.85

Atom	y (Å)	z (Å)
C1	0.000	0.634
C2	0.000	-0.634
C3	0.000	1.952
C4	0.000	-1.952
H5	0.926	2.515
H6	-0.926	2.515
H7	0.926	-2.515
H8	-0.926	-2.515

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2689	1.3179	2.5867	2.0967	2.0967	3.2831	3.2831
C2	1.2689		2.5867	1.3179	3.2831	3.2831	2.0967	2.0967
C3	1.3179	2.5867		3.9046	1.0841	1.0841	4.5626	4.5626
C4	2.5867	1.3179	3.9046		4.5626	4.5626	1.0841	1.0841
H5	2.0967	3.2831	1.0841	4.5626		1.8529	5.0306	5.3610
H6	2.0967	3.2831	1.0841	4.5626	1.8529		5.3610	5.0306
H7	3.2831	2.0967	4.5626	1.0841	5.0306	5.3610		1.8529
H8	3.2831	2.0967	4.5626	1.0841	5.3610	5.0306	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.286
C1	C3	H6	121.286	C2	C1	C3	180.000
C2	C4	H7	121.286	C2	C4	H8	121.286
H5	C3	H6	117.427	H7	C4	H8	117.427

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)