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	hartrees
Energy at 0K	-153.236026
Energy at 298.15K	-153.237623
HF Energy	-152.833792
Nuclear repulsion energy	87.985458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3105	3011
2	A_g	2126	2062
3	A_g	1531	1485
4	A_g	865	839
5	A_u	778	754
6	B_1u	3106	3013
7	B_1u	1620	1571
8	B_1u	1463	1419
9	B_2g	890	864
10	B_2g	265	257
11	B_2u	3179	3083
12	B_2u	1104	1071
13	B_2u	199	193
14	B_3g	3179	3083
15	B_3g	1082	1049
16	B_3g	248	241
17	B_3u	896	869
18	B_3u	185	180

Atom	y (Å)	z (Å)
C1	0.000	0.640
C2	0.000	-0.640
C3	0.000	1.975
C4	0.000	-1.975
H5	0.928	2.550
H6	-0.928	2.550
H7	0.928	-2.550
H8	-0.928	-2.550

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2802	1.3348	2.6149	2.1232	2.1232	3.3221	3.3221
C2	1.2802		2.6149	1.3348	3.3221	3.3221	2.1232	2.1232
C3	1.3348	2.6149		3.9497	1.0913	1.0913	4.6189	4.6189
C4	2.6149	1.3348	3.9497		4.6189	4.6189	1.0913	1.0913
H5	2.1232	3.3221	1.0913	4.6189		1.8550	5.0999	5.4268
H6	2.1232	3.3221	1.0913	4.6189	1.8550		5.4268	5.0999
H7	3.3221	2.1232	4.6189	1.0913	5.0999	5.4268		1.8550
H8	3.3221	2.1232	4.6189	1.0913	5.4268	5.0999	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.799
C1	C3	H6	121.799	C2	C1	C3	180.000
C2	C4	H7	121.799	C2	C4	H8	121.799
H5	C3	H6	116.401	H7	C4	H8	116.401

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)