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	hartrees
Energy at 0K	-155.484534
Energy at 298.15K	-155.489817
HF Energy	-154.917014
Nuclear repulsion energy	103.118765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3254	3107
2	A_g	3167	3024
3	A_g	3148	3006
4	A_g	1719	1641
5	A_g	1502	1434
6	A_g	1328	1268
7	A_g	1249	1193
8	A_g	910	869
9	A_g	516	493
10	A_u	1033	986
11	A_u	896	856
12	A_u	527	503
13	A_u	158	151
14	B_g	979	934
15	B_g	897	857
16	B_g	757	723
17	B_u	3254	3107
18	B_u	3166	3023
19	B_u	3155	3013
20	B_u	1654	1579
21	B_u	1434	1369
22	B_u	1337	1276
23	B_u	1015	969
24	B_u	294	281

Atom	x (Å)	y (Å)
C1	0.000	0.732
C2	0.000	-0.732
C3	1.121	1.482
C4	-1.121	-1.482
H5	-0.979	1.221
H6	0.979	-1.221
H7	1.082	2.570
H8	2.112	1.027
H9	-1.082	-2.570
H10	-2.112	-1.027

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4630	1.3491	2.4815	1.0939	2.1836	2.1335	2.1326	3.4745	2.7485
C2	1.4630		2.4815	1.3491	2.1836	1.0939	3.4745	2.7485	2.1335	2.1326
C3	1.3491	2.4815		3.7168	2.1156	2.7067	1.0884	1.0906	4.6126	4.0927
C4	2.4815	1.3491	3.7168		2.7067	2.1156	4.6126	4.0927	1.0884	1.0906
H5	1.0939	2.1836	2.1156	2.7067		3.1288	2.4634	3.0965	3.7921	2.5176
H6	2.1836	1.0939	2.7067	2.1156	3.1288		3.7921	2.5176	2.4634	3.0965
H7	2.1335	3.4745	1.0884	4.6126	2.4634	3.7921		1.8547	5.5774	4.8110
H8	2.1326	2.7485	1.0906	4.0927	3.0965	2.5176	1.8547		4.8110	4.6973
H9	3.4745	2.1335	4.6126	1.0884	3.7921	2.4634	5.5774	4.8110		1.8547
H10	2.7485	2.1326	4.0927	1.0906	2.5176	3.0965	4.8110	4.6973	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.819	C1	C2	H6	116.558
C1	C3	H7	121.793	C1	C3	H8	121.526
C2	C1	C3	123.819	C2	C1	H5	116.558
C2	C4	H9	121.793	C2	C4	H10	121.526
C3	C1	H5	119.623	C4	C2	H6	119.623
H7	C3	H8	116.682	H9	C4	H10	116.682

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)

using model chemistry: MP4/6-31G*

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 CH2CHCHCH2 (1,3-Butadiene)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)