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	hartrees
Energy at 0K	-25.835117
Energy at 298.15K	-25.839949
HF Energy	-25.359884
Nuclear repulsion energy	54.353247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3040	27.73
2	A'	3190	3029	1.29
3	A'	3180	3019	6.16
4	A'	3083	2927	37.96
5	A'	2043	1940	15.39
6	A'	1525	1448	4.55
7	A'	1488	1412	3.41
8	A'	1442	1369	3.13
9	A'	1366	1296	8.01
10	A'	1155	1096	0.64
11	A'	1104	1048	4.85
12	A'	888	843	4.29
13	A'	800	760	81.66
14	A'	535	508	4.10
15	A'	193	184	1.43
16	A"	3275	3110	6.10
17	A"	3170	3010	29.33
18	A"	1508	1432	9.14
19	A"	1078	1023	0.70
20	A"	998	947	0.16
21	A"	889	844	28.20
22	A"	524	498	9.87
23	A"	314	298	7.34
24	A"	163	155	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.732	1.860	0.000
C2	0.000	0.722	0.000
C3	0.721	-0.417	0.000
C4	0.086	-1.805	0.000
H5	-1.034	2.333	0.942
H6	-1.034	2.333	-0.942
H7	1.817	-0.343	0.000
H8	-1.013	-1.732	0.000
H9	0.404	-2.375	-0.893
H10	0.404	-2.375	0.893

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3528	2.7004	3.7548	1.0967	1.0967	3.3683	3.6025	4.4739	4.4739
C2	1.3528		1.3476	2.5282	2.1336	2.1336	2.1058	2.6544	3.2478	3.2478
C3	2.7004	1.3476		1.5267	3.3953	3.3953	1.0981	2.1765	2.1754	2.1754
C4	3.7548	2.5282	1.5267		4.3890	4.3890	2.2657	1.1017	1.1054	1.1054
H5	1.0967	2.1336	3.3953	4.3890		1.8841	4.0217	4.1722	5.2529	4.9223
H6	1.0967	2.1336	3.3953	4.3890	1.8841		4.0217	4.1722	4.9223	5.2529
H7	3.3683	2.1058	1.0981	2.2657	4.0217	4.0217		3.1524	2.6313	2.6313
H8	3.6025	2.6544	2.1765	1.1017	4.1722	4.1722	3.1524		1.7934	1.7934
H9	4.4739	3.2478	2.1754	1.1054	5.2529	4.9223	2.6313	1.7934		1.7851
H10	4.4739	3.2478	2.1754	1.1054	4.9223	5.2529	2.6313	1.7934	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.627	C2	C1	H5	120.799
C2	C1	H6	120.799	C2	C3	C4	123.062
C2	C3	H7	118.502	C3	C4	H8	110.768
C3	C4	H9	110.454	C3	C4	H10	110.454
C4	C3	H7	118.436	H5	C1	H6	118.403
H8	C4	H9	108.692	H8	C4	H10	108.692
H9	C4	H10	107.696

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)

using model chemistry: MP2/CEP-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 CH2CCHCH3 (1,2-Butadiene)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₂CCHCH₃ (1,2-Butadiene)