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	hartrees
Energy at 0K	-156.681009
Energy at 298.15K	-156.688604
HF Energy	-156.135005
Nuclear repulsion energy	117.275860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3041	58.46
2	A₁	3185	3027	2.21
3	A₁	3076	2923	12.43
4	A₁	1734	1648	3.31
5	A₁	1537	1461	8.81
6	A₁	1455	1382	8.61
7	A₁	1312	1247	0.18
8	A₁	1045	993	0.54
9	A₁	885	841	0.65
10	A₁	296	282	0.01
11	A₂	3141	2984	0.00
12	A₂	1521	1445	0.00
13	A₂	1070	1017	0.00
14	A₂	973	924	0.00
15	A₂	376	358	0.00
16	A₂	99	94	0.00
17	B₁	3141	2985	39.28
18	B₁	1527	1451	16.69
19	B₁	1083	1029	2.90
20	B₁	693	659	48.11
21	B₁	103	98	0.68
22	B₂	3183	3025	21.36
23	B₂	3164	3007	0.06
24	B₂	3073	2920	32.77
25	B₂	1529	1453	7.40
26	B₂	1464	1391	7.82
27	B₂	1418	1347	1.37
28	B₂	1171	1112	0.69
29	B₂	1005	955	11.78
30	B₂	567	539	6.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.642
C2	0.000	-0.676	0.642
C3	0.000	1.648	-0.510
C4	0.000	-1.648	-0.510
H5	0.000	1.155	1.620
H6	0.000	-1.155	1.620
H7	0.000	1.179	-1.489
H8	0.000	-1.179	-1.489
H9	-0.877	2.302	-0.464
H10	0.877	2.302	-0.464
H11	0.877	-2.302	-0.464
H12	-0.877	-2.302	-0.464

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3510	1.5073	2.5931	1.0894	2.0757	2.1898	2.8250	2.1537	2.1537	3.2953	3.2953
C2	1.3510		2.5931	1.5073	2.0757	1.0894	2.8250	2.1898	3.2953	3.2953	2.1537	2.1537
C3	1.5073	2.5931		3.2956	2.1860	3.5205	1.0859	2.9915	1.0951	1.0951	4.0463	4.0463
C4	2.5931	1.5073	3.2956		3.5205	2.1860	2.9915	1.0859	4.0463	4.0463	1.0951	1.0951
H5	1.0894	2.0757	2.1860	3.5205		2.3106	3.1093	3.8878	2.5355	2.5355	4.1312	4.1312
H6	2.0757	1.0894	3.5205	2.1860	2.3106		3.8878	3.1093	4.1312	4.1312	2.5355	2.5355
H7	2.1898	2.8250	1.0859	2.9915	3.1093	3.8878		2.3576	1.7553	1.7553	3.7331	3.7331
H8	2.8250	2.1898	2.9915	1.0859	3.8878	3.1093	2.3576		3.7331	3.7331	1.7553	1.7553
H9	2.1537	3.2953	1.0951	4.0463	2.5355	4.1312	1.7553	3.7331		1.7538	4.9269	4.6042
H10	2.1537	3.2953	1.0951	4.0463	2.5355	4.1312	1.7553	3.7331	1.7538		4.6042	4.9269
H11	3.2953	2.1537	4.0463	1.0951	4.1312	2.5355	3.7331	1.7553	4.9269	4.6042		1.7538
H12	3.2953	2.1537	4.0463	1.0951	4.1312	2.5355	3.7331	1.7553	4.6042	4.9269	1.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.170	C1	C2	H6	116.131
C1	C3	H7	114.242	C1	C3	H9	110.712
C1	C3	H10	110.712	C2	C1	C3	130.170
C2	C1	H5	116.131	C2	C4	H8	114.242
C2	C4	H11	110.712	C2	C4	H12	110.712
C3	C1	H5	113.700	C4	C2	H6	113.700
H7	C3	H9	107.191	H7	C3	H10	107.191
H8	C4	H11	107.191	H8	C4	H12	107.191
H9	C3	H10	106.408	H11	C4	H12	106.408

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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