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	hartrees
Energy at 0K	-155.499160
Energy at 298.15K	-155.504457
HF Energy	-154.912375
Nuclear repulsion energy	104.392619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3257	3132
2	A	3174	3052
3	A	3160	3039
4	A	1690	1625
5	A	1494	1436
6	A	1356	1304
7	A	1085	1043
8	A	999	960
9	A	909	874
10	A	900	866
11	A	746	718
12	A	274	263
13	A	169	163
14	B	3255	3130
15	B	3169	3047
16	B	3151	3030
17	B	1695	1630
18	B	1461	1405
19	B	1321	1270
20	B	1115	1072
21	B	1019	980
22	B	911	876
23	B	620	596
24	B	466	448

Atom	x (Å)	y (Å)	z (Å)
C1	0.113	0.729	0.559
C2	-0.113	-0.729	0.559
C3	-0.113	1.535	-0.495
C4	0.113	-1.535	-0.495
H5	0.473	1.166	1.494
H6	-0.473	-1.166	1.494
H7	0.090	2.603	-0.449
H8	-0.518	1.150	-1.430
H9	-0.090	-2.603	-0.449
H10	0.518	-1.150	-1.430

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4746	1.3465	2.4971	1.0931	2.1928	2.1289	2.1294	3.4871	2.7662
C2	1.4746		2.4971	1.3465	2.1928	1.0931	3.4871	2.7662	2.1289	2.1294
C3	1.3465	2.4971		3.0782	2.1060	3.3740	1.0884	1.0896	4.1385	2.9124
C4	2.4971	1.3465	3.0782		3.3740	2.1060	4.1385	2.9124	1.0884	1.0896
H5	1.0931	2.1928	2.1060	3.3740		2.5176	2.4469	3.0877	4.2784	3.7308
H6	2.1928	1.0931	3.3740	2.1060	2.5176		4.2784	3.7308	2.4469	3.0877
H7	2.1289	3.4871	1.0884	4.1385	2.4469	4.2784		1.8559	5.2096	3.9028
H8	2.1294	2.7662	1.0896	2.9124	3.0877	3.7308	1.8559		3.9028	2.5227
H9	3.4871	2.1289	4.1385	1.0884	4.2784	2.4469	5.2096	3.9028		1.8559
H10	2.7662	2.1294	2.9124	1.0896	3.7308	3.0877	3.9028	2.5227	1.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.480	C1	C2	H6	116.507
C1	C3	H7	121.579	C1	C3	H8	121.528
C2	C1	C3	124.480	C2	C1	H5	116.507
C2	C4	H9	121.579	C2	C4	H10	121.528
C3	C1	H5	119.005	C4	C2	H6	119.005
H7	C3	H8	116.890	H9	C4	H10	116.890

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

using model chemistry: MP4=FULL/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	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=FULL/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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