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	hartrees
Energy at 0K	-155.471655
Energy at 298.15K	-155.476646
HF Energy	-154.908930
Nuclear repulsion energy	102.405409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3032	19.86
2	A'	3229	3017	1.32
3	A'	3229	3017	3.42
4	A'	3126	2921	28.41
5	A'	2083	1946	12.23
6	A'	1563	1460	2.59
7	A'	1527	1427	2.15
8	A'	1461	1365	2.88
9	A'	1403	1311	7.09
10	A'	1178	1101	0.22
11	A'	1121	1048	2.79
12	A'	906	847	3.81
13	A'	880	822	49.43
14	A'	573	535	5.04
15	A'	209	195	0.66
16	A"	3321	3103	3.47
17	A"	3209	2999	19.65
18	A"	1545	1444	4.61
19	A"	1094	1022	0.53
20	A"	1048	979	0.06
21	A"	918	858	15.30
22	A"	543	507	5.36
23	A"	338	316	4.30
24	A"	160	150	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.695	1.824	0.000
C2	0.000	0.711	0.000
C3	0.691	-0.404	0.000
C4	0.077	-1.776	0.000
H5	-0.992	2.301	0.923
H6	-0.992	2.301	-0.923
H7	1.774	-0.341	0.000
H8	-1.008	-1.712	0.000
H9	0.389	-2.339	-0.879
H10	0.389	-2.339	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3118	2.6243	3.6819	1.0810	1.0810	3.2837	3.5501	4.3910	4.3910
C2	1.3118		1.3125	2.4886	2.0890	2.0890	2.0627	2.6247	3.1984	3.1984
C3	2.6243	1.3125		1.5030	3.3174	3.3174	1.0846	2.1442	2.1464	2.1464
C4	3.6819	2.4886	1.5030		4.3147	4.3147	2.2225	1.0866	1.0894	1.0894
H5	1.0810	2.0890	3.3174	4.3147		1.8469	3.9350	4.1180	5.1659	4.8417
H6	1.0810	2.0890	3.3174	4.3147	1.8469		3.9350	4.1180	4.8417	5.1659
H7	3.2837	2.0627	1.0846	2.2225	3.9350	3.9350		3.1014	2.5850	2.5850
H8	3.5501	2.6247	2.1442	1.0866	4.1180	4.1180	3.1014		1.7655	1.7655
H9	4.3910	3.1984	2.1464	1.0894	5.1659	4.8417	2.5850	1.7655		1.7570
H10	4.3910	3.1984	2.1464	1.0894	4.8417	5.1659	2.5850	1.7655	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.803	C2	C1	H5	121.322
C2	C1	H6	121.322	C2	C3	C4	124.087
C2	C3	H7	118.441	C3	C4	H8	110.760
C3	C4	H9	110.772	C3	C4	H10	110.772
C4	C3	H7	117.472	H5	C1	H6	117.356
H8	C4	H9	108.463	H8	C4	H10	108.463
H9	C4	H10	107.502

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

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

using model chemistry: MP2=FULL/6-31G**

States and conformations

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