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	hartrees
Energy at 0K	-154.255587
Energy at 298.15K	-154.257615
HF Energy	-153.695710
Nuclear repulsion energy	88.526161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3209	3021	0.00
2	A_g	2205	2076	0.00
3	A_g	1525	1435	0.00
4	A_g	902	849	0.00
5	A_u	772	726	0.00
6	B_1u	3211	3023	10.08
7	B_1u	1702	1602	2.93
8	B_1u	1453	1368	0.56
9	B_2g	886	834	0.00
10	B_2g	505	475	0.00
11	B_2u	3298	3105	12.04
12	B_2u	1075	1012	0.80
13	B_2u	225	212	4.77
14	B_3g	3298	3105	0.00
15	B_3g	1048	987	0.00
16	B_3g	335	316	0.00
17	B_3u	889	837	83.33
18	B_3u	224	211	2.79

Atom	y (Å)	z (Å)
C1	0.000	0.639
C2	0.000	-0.639
C3	0.000	1.964
C4	0.000	-1.964
H5	0.925	2.527
H6	-0.925	2.527
H7	0.925	-2.527
H8	-0.925	-2.527

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2789	1.3243	2.6033	2.1016	2.1016	3.2984	3.2984
C2	1.2789		2.6033	1.3243	3.2984	3.2984	2.1016	2.1016
C3	1.3243	2.6033		3.9276	1.0825	1.0825	4.5847	4.5847
C4	2.6033	1.3243	3.9276		4.5847	4.5847	1.0825	1.0825
H5	2.1016	3.2984	1.0825	4.5847		1.8493	5.0534	5.3811
H6	2.1016	3.2984	1.0825	4.5847	1.8493		5.3811	5.0534
H7	3.2984	2.1016	4.5847	1.0825	5.0534	5.3811		1.8493
H8	3.2984	2.1016	4.5847	1.0825	5.3811	5.0534	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.333
C1	C3	H6	121.333	C2	C1	C3	180.000
C2	C4	H7	121.333	C2	C4	H8	121.333
H5	C3	H6	117.334	H7	C4	H8	117.334

All results from a given calculation for H₂CCCCH₂ (Butatriene)

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

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)