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	hartrees
Energy at 0K	-154.144498
Energy at 298.15K	-154.146713
HF Energy	-153.689755
Nuclear repulsion energy	89.152999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3254	3006	0.00
2	A_g	2310	2134	0.00
3	A_g	1549	1431	0.00
4	A_g	942	870	0.00
5	A_u	807	745	0.00
6	B_1u	3256	3007	5.21
7	B_1u	1773	1638	8.13
8	B_1u	1482	1369	0.07
9	B_2g	947	875	0.00
10	B_2g	565	522	0.00
11	B_2u	3336	3082	8.38
12	B_2u	1098	1015	0.29
13	B_2u	240	222	5.75
14	B_3g	3337	3082	0.00
15	B_3g	1077	995	0.00
16	B_3g	385	356	0.00
17	B_3u	950	878	103.95
18	B_3u	239	221	3.52

Atom	y (Å)	z (Å)
C1	0.000	0.635
C2	0.000	-0.635
C3	0.000	1.947
C4	0.000	-1.947
H5	0.923	2.511
H6	-0.923	2.511
H7	0.923	-2.511
H8	-0.923	-2.511

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2709	1.3112	2.5821	2.0906	2.0906	3.2793	3.2793
C2	1.2709		2.5821	1.3112	3.2793	3.2793	2.0906	2.0906
C3	1.3112	2.5821		3.8933	1.0820	1.0820	4.5524	4.5524
C4	2.5821	1.3112	3.8933		4.5524	4.5524	1.0820	1.0820
H5	2.0906	3.2793	1.0820	4.5524		1.8461	5.0224	5.3510
H6	2.0906	3.2793	1.0820	4.5524	1.8461		5.3510	5.0224
H7	3.2793	2.0906	4.5524	1.0820	5.0224	5.3510		1.8461
H8	3.2793	2.0906	4.5524	1.0820	5.3510	5.0224	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.451
C1	C3	H6	121.451	C2	C1	C3	180.000
C2	C4	H7	121.451	C2	C4	H8	121.451
H5	C3	H6	117.099	H7	C4	H8	117.099

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)