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	hartrees
Energy at 0K	-153.969811
Energy at 298.15K	-153.971378
Nuclear repulsion energy	88.372421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3205	2997	0.00
2	A_g	2266	2119	0.00
3	A_g	1560	1459	0.00
4	A_g	916	857	0.00
5	A_u	803	751	0.00
6	B_1u	3204	2996	10.32
7	B_1u	1725	1613	6.93
8	B_1u	1495	1398	0.04
9	B_2g	966	904	0.00
10	B_2g	139	130	0.00
11	B_2u	3283	3070	20.26
12	B_2u	1120	1048	0.04
13	B_2u	219	205	6.47
14	B_3g	3283	3070	0.00
15	B_3g	1095	1024	0.00
16	B_3g	298	278	0.00
17	B_3u	974	911	118.61
18	B_3u	190	177	3.68

Atom	y (Å)	z (Å)
C1	0.000	0.641
C2	0.000	-0.641
C3	0.000	1.966
C4	0.000	-1.966
H5	0.923	2.538
H6	-0.923	2.538
H7	0.923	-2.538
H8	-0.923	-2.538

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2815	1.3251	2.6066	2.1098	2.1098	3.3099	3.3099
C2	1.2815		2.6066	1.3251	3.3099	3.3099	2.1098	2.1098
C3	1.3251	2.6066		3.9317	1.0860	1.0860	4.5973	4.5973
C4	2.6066	1.3251	3.9317		4.5973	4.5973	1.0860	1.0860
H5	2.1098	3.3099	1.0860	4.5973		1.8464	5.0757	5.4011
H6	2.1098	3.3099	1.0860	4.5973	1.8464		5.4011	5.0757
H7	3.3099	2.1098	4.5973	1.0860	5.0757	5.4011		1.8464
H8	3.3099	2.1098	4.5973	1.0860	5.4011	5.0757	1.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.783
C1	C3	H6	121.783	C2	C1	C3	180.000
C2	C4	H7	121.783	C2	C4	H8	121.783
H5	C3	H6	116.435	H7	C4	H8	116.435

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)