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	hartrees
Energy at 0K	-156.850088
Energy at 298.15K	-156.857783
HF Energy	-156.165070
Nuclear repulsion energy	117.856119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3040	44.08
2	A₁	3184	3023	2.18
3	A₁	3073	2918	12.02
4	A₁	1728	1641	4.29
5	A₁	1512	1435	5.04
6	A₁	1422	1351	4.74
7	A₁	1292	1227	0.00
8	A₁	1030	978	0.69
9	A₁	884	840	0.51
10	A₁	297	282	0.00
11	A₂	3137	2979	0.00
12	A₂	1496	1420	0.00
13	A₂	1061	1007	0.00
14	A₂	1006	955	0.00
15	A₂	391	372	0.00
16	A₂	121	115	0.00
17	B₁	3137	2979	28.56
18	B₁	1502	1426	11.24
19	B₁	1071	1017	3.96
20	B₁	701	665	37.33
21	B₁	122	115	0.74
22	B₂	3182	3021	14.91
23	B₂	3167	3007	0.56
24	B₂	3070	2915	29.82
25	B₂	1504	1428	4.70
26	B₂	1445	1372	7.97
27	B₂	1389	1318	1.29
28	B₂	1164	1105	0.34
29	B₂	997	947	12.89
30	B₂	563	534	5.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.649
C2	0.000	-0.672	0.649
C3	0.000	1.622	-0.513
C4	0.000	-1.622	-0.513
H5	0.000	1.155	1.619
H6	0.000	-1.155	1.619
H7	0.000	1.131	-1.478
H8	0.000	-1.131	-1.478
H9	-0.874	2.273	-0.479
H10	0.874	2.273	-0.479
H11	0.874	-2.273	-0.479
H12	-0.874	-2.273	-0.479

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3439	1.5000	2.5707	1.0838	2.0683	2.1758	2.7881	2.1446	2.1446	3.2725	3.2725
C2	1.3439		2.5707	1.5000	2.0683	1.0838	2.7881	2.1758	3.2725	3.2725	2.1446	2.1446
C3	1.5000	2.5707		3.2430	2.1822	3.5001	1.0831	2.9168	1.0910	1.0910	3.9918	3.9918
C4	2.5707	1.5000	3.2430		3.5001	2.1822	2.9168	1.0831	3.9918	3.9918	1.0910	1.0910
H5	1.0838	2.0683	2.1822	3.5001		2.3092	3.0973	3.8492	2.5331	2.5331	4.1128	4.1128
H6	2.0683	1.0838	3.5001	2.1822	2.3092		3.8492	3.0973	4.1128	4.1128	2.5331	2.5331
H7	2.1758	2.7881	1.0831	2.9168	3.0973	3.8492		2.2616	1.7516	1.7516	3.6538	3.6538
H8	2.7881	2.1758	2.9168	1.0831	3.8492	3.0973	2.2616		3.6538	3.6538	1.7516	1.7516
H9	2.1446	3.2725	1.0910	3.9918	2.5331	4.1128	1.7516	3.6538		1.7486	4.8710	4.5463
H10	2.1446	3.2725	1.0910	3.9918	2.5331	4.1128	1.7516	3.6538	1.7486		4.5463	4.8710
H11	3.2725	2.1446	3.9918	1.0910	4.1128	2.5331	3.6538	1.7516	4.8710	4.5463		1.7486
H12	3.2725	2.1446	3.9918	1.0910	4.1128	2.5331	3.6538	1.7516	4.5463	4.8710	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.274	C1	C2	H6	116.445
C1	C3	H7	113.788	C1	C3	H9	110.739
C1	C3	H10	110.739	C2	C1	C3	129.274
C2	C1	H5	116.445	C2	C4	H8	113.788
C2	C4	H11	110.739	C2	C4	H12	110.739
C3	C1	H5	114.281	C4	C2	H6	114.281
H7	C3	H9	107.352	H7	C3	H10	107.352
H8	C4	H11	107.352	H8	C4	H12	107.352
H9	C3	H10	106.529	H11	C4	H12	106.529

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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