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	hartrees
Energy at 0K	-155.422900
Energy at 298.15K	-155.427884
HF Energy	-154.898276
Nuclear repulsion energy	102.239503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3027	18.34
2	A'	3201	3016	2.42
3	A'	3198	3014	1.56
4	A'	3102	2923	25.81
5	A'	2081	1960	12.51
6	A'	1564	1473	3.40
7	A'	1523	1435	3.03
8	A'	1467	1382	2.97
9	A'	1406	1325	5.34
10	A'	1181	1113	0.18
11	A'	1127	1062	3.52
12	A'	907	855	4.20
13	A'	884	833	55.60
14	A'	576	543	5.31
15	A'	210	198	0.78
16	A"	3284	3094	3.26
17	A"	3178	2995	17.98
18	A"	1548	1458	5.96
19	A"	1099	1035	0.28
20	A"	1054	993	0.00
21	A"	916	864	17.26
22	A"	545	514	5.89
23	A"	340	321	4.94
24	A"	158	149	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.688	1.832	0.000
C2	0.000	0.712	0.000
C3	0.687	-0.407	0.000
C4	0.074	-1.781	0.000
H5	-0.989	2.314	0.926
H6	-0.989	2.314	-0.926
H7	1.776	-0.353	0.000
H8	-1.016	-1.717	0.000
H9	0.390	-2.346	-0.883
H10	0.390	-2.346	0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3136	2.6272	3.6923	1.0869	1.0869	3.2933	3.5639	4.4035	4.4035
C2	1.3136		1.3135	2.4948	2.0980	2.0980	2.0715	2.6336	3.2069	3.2069
C3	2.6272	1.3135		1.5049	3.3275	3.3275	1.0906	2.1490	2.1511	2.1511
C4	3.6923	2.4948	1.5049		4.3314	4.3314	2.2222	1.0920	1.0947	1.0947
H5	1.0869	2.0980	3.3275	4.3314		1.8524	3.9522	4.1366	5.1855	4.8598
H6	1.0869	2.0980	3.3275	4.3314	1.8524		3.9522	4.1366	4.8598	5.1855
H7	3.2933	2.0715	1.0906	2.2222	3.9522	3.9522		3.1079	2.5834	2.5834
H8	3.5639	2.6336	2.1490	1.0920	4.1366	4.1366	3.1079		1.7752	1.7752
H9	4.4035	3.2069	2.1511	1.0947	5.1855	4.8598	2.5834	1.7752		1.7663
H10	4.4035	3.2069	2.1511	1.0947	4.8598	5.1855	2.5834	1.7752	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.961	C2	C1	H5	121.556
C2	C1	H6	121.556	C2	C3	C4	124.410
C2	C3	H7	118.711	C3	C4	H8	110.686
C3	C4	H9	110.695	C3	C4	H10	110.695
C4	C3	H7	116.879	H5	C1	H6	116.887
H8	C4	H9	108.549	H8	C4	H10	108.549
H9	C4	H10	107.569

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)