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	hartrees
Energy at 0K	-155.514806
Energy at 298.15K	-155.519717
HF Energy	-154.951592
Nuclear repulsion energy	102.474817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3029	16.07
2	A'	3185	3019	3.42
3	A'	3182	3016	1.95
4	A'	3081	2920	30.25
5	A'	2051	1944	22.44
6	A'	1528	1449	3.61
7	A'	1497	1419	4.80
8	A'	1433	1358	3.28
9	A'	1377	1305	6.51
10	A'	1161	1100	0.07
11	A'	1103	1045	2.71
12	A'	891	845	3.73
13	A'	837	794	56.59
14	A'	562	533	7.53
15	A'	200	190	1.55
16	A"	3273	3102	1.42
17	A"	3156	2992	16.62
18	A"	1495	1417	6.33
19	A"	1072	1016	1.51
20	A"	1022	968	0.40
21	A"	899	852	17.87
22	A"	530	502	6.16
23	A"	314	297	7.54
24	A"	156	148	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.692	1.822	0.000
C2	0.000	0.710	0.000
C3	0.690	-0.402	0.000
C4	0.075	-1.775	0.000
H5	-0.986	2.297	0.927
H6	-0.986	2.297	-0.927
H7	1.774	-0.336	0.000
H8	-1.012	-1.712	0.000
H9	0.387	-2.338	-0.881
H10	0.387	-2.338	0.881

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3091	2.6182	3.6770	1.0827	1.0827	3.2766	3.5479	4.3864	4.3864
C2	1.3091		1.3091	2.4859	2.0858	2.0858	2.0596	2.6250	3.1962	3.1962
C3	2.6182	1.3091		1.5041	3.3100	3.3100	1.0861	2.1478	2.1480	2.1480
C4	3.6770	2.4859	1.5041		4.3086	4.3086	2.2267	1.0887	1.0914	1.0914
H5	1.0827	2.0858	3.3100	4.3086		1.8541	3.9258	4.1148	5.1611	4.8342
H6	1.0827	2.0858	3.3100	4.3086	1.8541		3.9258	4.1148	4.8342	5.1611
H7	3.2766	2.0596	1.0861	2.2267	3.9258	3.9258		3.1076	2.5898	2.5898
H8	3.5479	2.6250	2.1478	1.0887	4.1148	4.1148	3.1076		1.7683	1.7683
H9	4.3864	3.1962	2.1480	1.0914	5.1611	4.8342	2.5898	1.7683		1.7623
H10	4.3864	3.1962	2.1480	1.0914	4.8342	5.1611	2.5898	1.7683	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.911	C2	C1	H5	121.104
C2	C1	H6	121.104	C2	C3	C4	124.034
C2	C3	H7	118.312	C3	C4	H8	110.847
C3	C4	H9	110.703	C3	C4	H10	110.703
C4	C3	H7	117.655	H5	C1	H6	117.792
H8	C4	H9	108.405	H8	C4	H10	108.405
H9	C4	H10	107.673

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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