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	hartrees
Energy at 0K	-154.274577
Energy at 298.15K	-154.276557
HF Energy	-153.703412
Nuclear repulsion energy	88.761999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3020	5.15
2	A₁	3239	3017	0.00
3	A₁	2227	2075	0.00
4	A₁	1714	1597	10.04
5	A₁	1529	1424	0.00
6	A₁	1459	1360	0.14
7	A₁	913	850	0.00
8	A₂	784	731	0.00
9	B₁	886	826	109.77
10	B₁	882	821	0.00
11	B₁	473	441	0.00
12	B₁	219	204	6.77
13	B₂	3329	3102	0.00
14	B₂	3329	3101	5.67
15	B₂	1077	1003	1.03
16	B₂	1047	976	0.00
17	B₂	309	288	0.00
18	B₂	225	210	8.85

Atom	y (Å)	z (Å)
C1	0.000	-0.638
C2	0.000	0.638
C3	0.000	-1.959
C4	0.000	1.959
H5	0.923	-2.521
H6	-0.923	-2.521
H7	0.923	2.521
H8	-0.923	2.521

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2759	1.3209	2.5968	2.0969	2.0969	3.2908	3.2908
C2	1.2759		2.5968	1.3209	3.2908	3.2908	2.0969	2.0969
C3	1.3209	2.5968		3.9177	1.0806	1.0806	4.5738	4.5738
C4	2.5968	1.3209	3.9177		4.5738	4.5738	1.0806	1.0806
H5	2.0969	3.2908	1.0806	4.5738		1.8461	5.0415	5.3689
H6	2.0969	3.2908	1.0806	4.5738	1.8461		5.3689	5.0415
H7	3.2908	2.0969	4.5738	1.0806	5.0415	5.3689		1.8461
H8	3.2908	2.0969	4.5738	1.0806	5.3689	5.0415	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.330
C1	C3	H6	121.330	C2	C1	C3	180.000
C2	C4	H7	121.330	C2	C4	H8	121.330
H5	C3	H6	117.340	H7	C4	H8	117.340

All results from a given calculation for H₂CCCCH₂ (Butatriene)

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

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)