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	hartrees
Energy at 0K	-153.221122
Energy at 298.15K	-153.222787
HF Energy	-152.834993
Nuclear repulsion energy	88.234038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	2984	0.00
2	A_g	2173	2078	0.00
3	A_g	1540	1473	0.00
4	A_g	881	843	0.00
5	A_u	770	737	0.00
6	B_1u	3122	2986	7.75
7	B_1u	1655	1583	0.28
8	B_1u	1475	1411	0.09
9	B_2g	918	878	0.00
10	B_2g	291	278	0.00
11	B_2u	3191	3052	13.66
12	B_2u	1109	1061	0.09
13	B_2u	203	194	6.44
14	B_3g	3191	3052	0.00
15	B_3g	1090	1042	0.00
16	B_3g	262	250	0.00
17	B_3u	924	884	104.44
18	B_3u	186	177	4.19

Atom	y (Å)	z (Å)
C1	0.000	0.640
C2	0.000	-0.640
C3	0.000	1.968
C4	0.000	-1.968
H5	0.927	2.543
H6	-0.927	2.543
H7	0.927	-2.543
H8	-0.927	-2.543

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2792	1.3286	2.6078	2.1166	2.1166	3.3144	3.3144
C2	1.2792		2.6078	1.3286	3.3144	3.3144	2.1166	2.1166
C3	1.3286	2.6078		3.9364	1.0902	1.0902	4.6050	4.6050
C4	2.6078	1.3286	3.9364		4.6050	4.6050	1.0902	1.0902
H5	2.1166	3.3144	1.0902	4.6050		1.8531	5.0853	5.4124
H6	2.1166	3.3144	1.0902	4.6050	1.8531		5.4124	5.0853
H7	3.3144	2.1166	4.6050	1.0902	5.0853	5.4124		1.8531
H8	3.3144	2.1166	4.6050	1.0902	5.4124	5.0853	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.797
C1	C3	H6	121.797	C2	C1	C3	180.000
C2	C4	H7	121.797	C2	C4	H8	121.797
H5	C3	H6	116.406	H7	C4	H8	116.406

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)