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	hartrees
Energy at 0K	-156.770685
Energy at 298.15K	-156.778387
HF Energy	-156.128193
Nuclear repulsion energy	117.603028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3050	39.80
2	A₁	3216	3037	0.50
3	A₁	3102	2930	9.16
4	A₁	1739	1643	2.81
5	A₁	1527	1442	5.42
6	A₁	1438	1358	4.59
7	A₁	1303	1230	0.04
8	A₁	1035	977	0.65
9	A₁	886	837	0.46
10	A₁	297	280	0.00
11	A₂	3171	2995	0.00
12	A₂	1511	1427	0.00
13	A₂	1063	1004	0.00
14	A₂	1017	960	0.00
15	A₂	392	370	0.00
16	A₂	126	119	0.00
17	B₁	3171	2995	24.23
18	B₁	1517	1433	9.90
19	B₁	1077	1017	1.44
20	B₁	707	667	30.77
21	B₁	124	117	0.72
22	B₂	3214	3036	12.25
23	B₂	3195	3018	0.09
24	B₂	3100	2928	22.19
25	B₂	1518	1434	3.50
26	B₂	1451	1371	6.53
27	B₂	1401	1323	2.30
28	B₂	1167	1102	0.75
29	B₂	1003	947	11.82
30	B₂	563	531	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.645
C2	0.000	-0.673	0.645
C3	0.000	1.635	-0.510
C4	0.000	-1.635	-0.510
H5	0.000	1.156	1.617
H6	0.000	-1.156	1.617
H7	0.000	1.157	-1.484
H8	0.000	-1.157	-1.484
H9	-0.875	2.289	-0.470
H10	0.875	2.289	-0.470
H11	0.875	-2.289	-0.470
H12	-0.875	-2.289	-0.470

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3454	1.5032	2.5804	1.0859	2.0710	2.1832	2.8070	2.1495	2.1495	3.2830	3.2830
C2	1.3454		2.5804	1.5032	2.0710	1.0859	2.8070	2.1832	3.2830	3.2830	2.1495	2.1495
C3	1.5032	2.5804		3.2693	2.1809	3.5091	1.0846	2.9564	1.0933	1.0933	4.0198	4.0198
C4	2.5804	1.5032	3.2693		3.5091	2.1809	2.9564	1.0846	4.0198	4.0198	1.0933	1.0933
H5	1.0859	2.0710	2.1809	3.5091		2.3115	3.1014	3.8686	2.5312	2.5312	4.1215	4.1215
H6	2.0710	1.0859	3.5091	2.1809	2.3115		3.8686	3.1014	4.1215	4.1215	2.5312	2.5312
H7	2.1832	2.8070	1.0846	2.9564	3.1014	3.8686		2.3136	1.7535	1.7535	3.6965	3.6965
H8	2.8070	2.1832	2.9564	1.0846	3.8686	3.1014	2.3136		3.6965	3.6965	1.7535	1.7535
H9	2.1495	3.2830	1.0933	4.0198	2.5312	4.1215	1.7535	3.6965		1.7505	4.9003	4.5770
H10	2.1495	3.2830	1.0933	4.0198	2.5312	4.1215	1.7535	3.6965	1.7505		4.5770	4.9003
H11	3.2830	2.1495	4.0198	1.0933	4.1215	2.5312	3.6965	1.7535	4.9003	4.5770		1.7505
H12	3.2830	2.1495	4.0198	1.0933	4.1215	2.5312	3.6965	1.7535	4.5770	4.9003	1.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.785	C1	C2	H6	116.413
C1	C3	H7	114.074	C1	C3	H9	110.763
C1	C3	H10	110.763	C2	C1	C3	129.785
C2	C1	H5	116.413	C2	C4	H8	114.074
C2	C4	H11	110.763	C2	C4	H12	110.763
C3	C1	H5	113.801	C4	C2	H6	113.801
H7	C3	H9	107.245	H7	C3	H10	107.245
H8	C4	H11	107.245	H8	C4	H12	107.245
H9	C3	H10	106.375	H11	C4	H12	106.375

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)

using model chemistry: MP2/6-31G(2df,p)

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 CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)