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	hartrees
Energy at 0K	-156.935497
Energy at 298.15K	-156.943199
HF Energy	-156.166407
Nuclear repulsion energy	118.232404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3044	37.59
2	A₁	3177	3023	5.72
3	A₁	3075	2926	13.22
4	A₁	1738	1653	5.86
5	A₁	1521	1447	5.17
6	A₁	1430	1361	4.90
7	A₁	1296	1233	0.00
8	A₁	1038	987	0.68
9	A₁	889	846	0.65
10	A₁	298	283	0.00
11	A₂	3132	2979	0.00
12	A₂	1507	1433	0.00
13	A₂	1075	1023	0.00
14	A₂	1012	963	0.00
15	A₂	391	372	0.00
16	A₂	119	113	0.00
17	B₁	3132	2980	23.90
18	B₁	1513	1440	11.90
19	B₁	1081	1028	4.77
20	B₁	707	673	38.22
21	B₁	122	116	0.95
22	B₂	3171	3017	14.02
23	B₂	3156	3003	0.47
24	B₂	3072	2923	29.76
25	B₂	1511	1438	5.96
26	B₂	1448	1377	8.42
27	B₂	1396	1328	0.79
28	B₂	1169	1112	0.31
29	B₂	1000	951	13.49
30	B₂	555	528	5.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.648
C2	0.000	-0.669	0.648
C3	0.000	1.611	-0.512
C4	0.000	-1.611	-0.512
H5	0.000	1.151	1.616
H6	0.000	-1.151	1.616
H7	0.000	1.115	-1.473
H8	0.000	-1.115	-1.473
H9	-0.874	2.261	-0.480
H10	0.874	2.261	-0.480
H11	0.874	-2.261	-0.480
H12	-0.874	-2.261	-0.480

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3386	1.4940	2.5583	1.0811	2.0617	2.1678	2.7723	2.1377	2.1377	3.2593	3.2593
C2	1.3386		2.5583	1.4940	2.0617	1.0811	2.7723	2.1678	3.2593	3.2593	2.1377	2.1377
C3	1.4940	2.5583		3.2221	2.1766	3.4866	1.0819	2.8911	1.0895	1.0895	3.9696	3.9696
C4	2.5583	1.4940	3.2221		3.4866	2.1766	2.8911	1.0819	3.9696	3.9696	1.0895	1.0895
H5	1.0811	2.0617	2.1766	3.4866		2.3024	3.0894	3.8315	2.5274	2.5274	4.0987	4.0987
H6	2.0617	1.0811	3.4866	2.1766	2.3024		3.8315	3.0894	4.0987	4.0987	2.5274	2.5274
H7	2.1678	2.7723	1.0819	2.8911	3.0894	3.8315		2.2308	1.7501	1.7501	3.6264	3.6264
H8	2.7723	2.1678	2.8911	1.0819	3.8315	3.0894	2.2308		3.6264	3.6264	1.7501	1.7501
H9	2.1377	3.2593	1.0895	3.9696	2.5274	4.0987	1.7501	3.6264		1.7477	4.8480	4.5221
H10	2.1377	3.2593	1.0895	3.9696	2.5274	4.0987	1.7501	3.6264	1.7477		4.5221	4.8480
H11	3.2593	2.1377	3.9696	1.0895	4.0987	2.5274	3.6264	1.7501	4.8480	4.5221		1.7477
H12	3.2593	2.1377	3.9696	1.0895	4.0987	2.5274	3.6264	1.7501	4.5221	4.8480	1.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.078	C1	C2	H6	116.473
C1	C3	H7	113.656	C1	C3	H9	110.703
C1	C3	H10	110.703	C2	C1	C3	129.078
C2	C1	H5	116.473	C2	C4	H8	113.656
C2	C4	H11	110.703	C2	C4	H12	110.703
C3	C1	H5	114.449	C4	C2	H6	114.449
H7	C3	H9	107.405	H7	C3	H10	107.405
H8	C4	H11	107.405	H8	C4	H12	107.405
H9	C3	H10	106.649	H11	C4	H12	106.649

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

using model chemistry: MP2=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

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