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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3254	3178
2	A_g	3167	3094
3	A_g	3148	3075
4	A_g	1719	1679
5	A_g	1502	1468
6	A_g	1328	1297
7	A_g	1249	1220
8	A_g	910	889
9	A_g	516	504
10	A_u	1033	1009
11	A_u	896	876
12	A_u	527	514
13	A_u	158	154
14	B_g	979	956
15	B_g	897	877
16	B_g	757	739
17	B_u	3254	3179
18	B_u	3166	3093
19	B_u	3155	3083
20	B_u	1654	1616
21	B_u	1434	1400
22	B_u	1337	1306
23	B_u	1015	991
24	B_u	294	288

	hartrees
Energy at 0K	-155.558393
Energy at 298.15K	-155.563663
HF Energy	-154.931865
Nuclear repulsion energy	103.582855

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	0.733	0.564
C2	-0.116	-0.733	0.564
C3	-0.116	1.548	-0.500
C4	0.116	-1.548	-0.500
H5	0.484	1.174	1.501
H6	-0.484	-1.174	1.501
H7	0.094	2.621	-0.448
H8	-0.535	1.156	-1.435
H9	-0.094	-2.621	-0.448
H10	0.535	-1.156	-1.435

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4846	1.3595	2.5165	1.0998	2.2088	2.1422	2.1443	3.5102	2.7819
C2	1.4846		2.5165	1.3595	2.2088	1.0998	3.5102	2.7819	2.1422	2.1443
C3	1.3595	2.5165		3.1038	2.1224	3.3986	1.0956	1.0972	4.1694	2.9336
C4	2.5165	1.3595	3.1038		3.3986	2.1224	4.1694	2.9336	1.0956	1.0972
H5	1.0998	2.2088	2.1224	3.3986		2.5403	2.4587	3.1085	4.3062	3.7494
H6	2.2088	1.0998	3.3986	2.1224	2.5403		4.3062	3.7494	2.4587	3.1085
H7	2.1422	3.5102	1.0956	4.1694	2.4587	4.3062		1.8761	5.2464	3.9289
H8	2.1443	2.7819	1.0972	2.9336	3.1085	3.7494	1.8761		3.9289	2.5466
H9	3.5102	2.1422	4.1694	1.0956	4.3062	2.4587	5.2464	3.9289		1.8761
H10	2.7819	2.1443	2.9336	1.0972	3.7494	3.1085	3.9289	2.5466	1.8761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.397	C1	C2	H6	116.654
C1	C3	H7	121.142	C1	C3	H8	121.213
C2	C1	C3	124.397	C2	C1	H5	116.654
C2	C4	H9	121.142	C2	C4	H10	121.213
C3	C1	H5	118.940	C4	C2	H6	118.940
H7	C3	H8	117.639	H9	C4	H10	117.639

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	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 CH2CHCHCH2 (1,3-Butadiene)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

All results from a given calculation for CH₂CHCHCH₂ (1,3-Butadiene)