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	hartrees
Energy at 0K	-156.674350
Energy at 298.15K	-156.682009
HF Energy	-156.106468
Nuclear repulsion energy	117.027888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3028	68.17
2	A₁	3165	3014	0.95
3	A₁	3062	2916	11.57
4	A₁	1774	1689	2.03
5	A₁	1550	1476	5.78
6	A₁	1474	1404	4.39
7	A₁	1326	1263	0.04
8	A₁	1056	1005	0.73
9	A₁	890	848	0.54
10	A₁	303	288	0.00
11	A₂	3114	2966	0.00
12	A₂	1533	1460	0.00
13	A₂	1086	1034	0.00
14	A₂	997	950	0.00
15	A₂	385	367	0.00
16	A₂	114	109	0.00
17	B₁	3115	2966	51.35
18	B₁	1538	1465	10.00
19	B₁	1099	1047	2.09
20	B₁	708	674	34.51
21	B₁	110	105	0.58
22	B₂	3160	3009	25.40
23	B₂	3146	2996	1.09
24	B₂	3058	2912	39.07
25	B₂	1541	1467	3.15
26	B₂	1485	1414	4.94
27	B₂	1435	1367	2.85
28	B₂	1185	1128	0.72
29	B₂	1011	963	8.64
30	B₂	573	546	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.638
C2	0.000	-0.676	0.638
C3	0.000	1.662	-0.507
C4	0.000	-1.662	-0.507
H5	0.000	1.156	1.619
H6	0.000	-1.156	1.619
H7	0.000	1.204	-1.495
H8	0.000	-1.204	-1.495
H9	-0.880	2.318	-0.455
H10	0.880	2.318	-0.455
H11	0.880	-2.318	-0.455
H12	-0.880	-2.318	-0.455

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3511	1.5112	2.6030	1.0919	2.0772	2.1972	2.8426	2.1603	2.1603	3.3063	3.3063
C2	1.3511		2.6030	1.5112	2.0772	1.0919	2.8426	2.1972	3.3063	3.3063	2.1603	2.1603
C3	1.5112	2.6030		3.3246	2.1850	3.5295	1.0894	3.0315	1.0992	1.0992	4.0772	4.0772
C4	2.6030	1.5112	3.3246		3.5295	2.1850	3.0315	1.0894	4.0772	4.0772	1.0992	1.0992
H5	1.0919	2.0772	2.1850	3.5295		2.3110	3.1140	3.9064	2.5348	2.5348	4.1402	4.1402
H6	2.0772	1.0919	3.5295	2.1850	2.3110		3.9064	3.1140	4.1402	4.1402	2.5348	2.5348
H7	2.1972	2.8426	1.0894	3.0315	3.1140	3.9064		2.4073	1.7607	1.7607	3.7765	3.7765
H8	2.8426	2.1972	3.0315	1.0894	3.9064	3.1140	2.4073		3.7765	3.7765	1.7607	1.7607
H9	2.1603	3.3063	1.0992	4.0772	2.5348	4.1402	1.7607	3.7765		1.7608	4.9598	4.6367
H10	2.1603	3.3063	1.0992	4.0772	2.5348	4.1402	1.7607	3.7765	1.7608		4.6367	4.9598
H11	3.3063	2.1603	4.0772	1.0992	4.1402	2.5348	3.7765	1.7607	4.9598	4.6367		1.7608
H12	3.3063	2.1603	4.0772	1.0992	4.1402	2.5348	3.7765	1.7607	4.6367	4.9598	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.762	C1	C2	H6	116.074
C1	C3	H7	114.340	C1	C3	H9	110.713
C1	C3	H10	110.713	C2	C1	C3	130.762
C2	C1	H5	116.074	C2	C4	H8	114.340
C2	C4	H11	110.713	C2	C4	H12	110.713
C3	C1	H5	113.164	C4	C2	H6	113.164
H7	C3	H9	107.123	H7	C3	H10	107.123
H8	C4	H11	107.123	H8	C4	H12	107.123
H9	C3	H10	106.439	H11	C4	H12	106.439

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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