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	hartrees
Energy at 0K	-155.481404
Energy at 298.15K	-155.486338
HF Energy	-154.914242
Nuclear repulsion energy	102.249752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3039	18.05
2	A'	3222	3026	3.39
3	A'	3221	3025	0.27
4	A'	3116	2927	31.44
5	A'	2060	1935	21.40
6	A'	1549	1455	4.44
7	A'	1516	1424	3.93
8	A'	1453	1364	3.33
9	A'	1392	1308	7.61
10	A'	1172	1101	0.15
11	A'	1116	1048	2.78
12	A'	900	845	4.41
13	A'	873	820	61.16
14	A'	566	532	9.30
15	A'	206	194	2.08
16	A"	3315	3113	1.53
17	A"	3199	3005	15.78
18	A"	1526	1434	6.32
19	A"	1083	1017	1.83
20	A"	1041	977	0.24
21	A"	907	852	20.15
22	A"	537	504	6.26
23	A"	320	300	9.81
24	A"	150	140	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.691	1.831	0.000
C2	0.000	0.712	0.000
C3	0.690	-0.408	0.000
C4	0.074	-1.780	0.000
H5	-0.985	2.307	0.925
H6	-0.985	2.307	-0.925
H7	1.773	-0.343	0.000
H8	-1.011	-1.715	0.000
H9	0.387	-2.342	-0.879
H10	0.387	-2.342	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3152	2.6303	3.6910	1.0815	1.0815	3.2862	3.5606	4.3989	4.3989
C2	1.3152		1.3151	2.4931	2.0910	2.0910	2.0632	2.6297	3.2018	3.2018
C3	2.6303	1.3151		1.5044	3.3217	3.3217	1.0851	2.1461	2.1466	2.1466
C4	3.6910	2.4931	1.5044		4.3225	4.3225	2.2256	1.0873	1.0898	1.0898
H5	1.0815	2.0910	3.3217	4.3225		1.8505	3.9356	4.1277	5.1729	4.8481
H6	1.0815	2.0910	3.3217	4.3225	1.8505		3.9356	4.1277	4.8481	5.1729
H7	3.2862	2.0632	1.0851	2.2256	3.9356	3.9356		3.1046	2.5869	2.5869
H8	3.5606	2.6297	2.1461	1.0873	4.1277	4.1277	3.1046		1.7672	1.7672
H9	4.3989	3.2018	2.1466	1.0898	5.1729	4.8481	2.5869	1.7672		1.7590
H10	4.3989	3.2018	2.1466	1.0898	4.8481	5.1729	2.5869	1.7672	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.931	C2	C1	H5	121.179
C2	C1	H6	121.179	C2	C3	C4	124.174
C2	C3	H7	118.226	C3	C4	H8	110.769
C3	C4	H9	110.657	C3	C4	H10	110.657
C4	C3	H7	117.599	H5	C1	H6	117.641
H8	C4	H9	108.527	H8	C4	H10	108.527
H9	C4	H10	107.606

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

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

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/6-31+G**

States and conformations

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