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	hartrees
Energy at 0K	-156.318067
Energy at 298.15K	-156.325758
HF Energy	-156.318067
Nuclear repulsion energy	117.424500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3041	44.35
2	A₁	3179	3013	7.92
3	A₁	3070	2910	8.48
4	A₁	1775	1683	1.37
5	A₁	1568	1486	13.73
6	A₁	1480	1403	13.73
7	A₁	1348	1278	0.80
8	A₁	1068	1012	2.29
9	A₁	877	831	0.75
10	A₁	315	299	0.06
11	A₂	3119	2956	0.00
12	A₂	1558	1477	0.00
13	A₂	1116	1058	0.00
14	A₂	1042	988	0.00
15	A₂	400	379	0.00
16	A₂	120	114	0.00
17	B₁	3119	2957	34.86
18	B₁	1563	1482	19.88
19	B₁	1109	1051	0.00
20	B₁	718	680	59.12
21	B₁	79	75	1.29
22	B₂	3183	3017	10.41
23	B₂	3165	3000	2.92
24	B₂	3068	2908	29.54
25	B₂	1556	1475	7.43
26	B₂	1482	1404	8.76
27	B₂	1462	1386	0.68
28	B₂	1193	1131	4.20
29	B₂	993	941	16.06
30	B₂	595	564	8.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.647
C2	0.000	-0.670	0.647
C3	0.000	1.637	-0.512
C4	0.000	-1.637	-0.512
H5	0.000	1.156	1.619
H6	0.000	-1.156	1.619
H7	0.000	1.155	-1.488
H8	0.000	-1.155	-1.488
H9	-0.881	2.290	-0.470
H10	0.881	2.290	-0.470
H11	0.881	-2.290	-0.470
H12	-0.881	-2.290	-0.470

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3395	1.5097	2.5818	1.0873	2.0687	2.1894	2.8083	2.1565	2.1565	3.2843	3.2843
C2	1.3395		2.5818	1.5097	2.0687	1.0873	2.8083	2.1894	3.2843	3.2843	2.1565	2.1565
C3	1.5097	2.5818		3.2746	2.1850	3.5137	1.0890	2.9575	1.0974	1.0974	4.0256	4.0256
C4	2.5818	1.5097	3.2746		3.5137	2.1850	2.9575	1.0890	4.0256	4.0256	1.0974	1.0974
H5	1.0873	2.0687	2.1850	3.5137		2.3122	3.1075	3.8724	2.5355	2.5355	4.1256	4.1256
H6	2.0687	1.0873	3.5137	2.1850	2.3122		3.8724	3.1075	4.1256	4.1256	2.5355	2.5355
H7	2.1894	2.8083	1.0890	2.9575	3.1075	3.8724		2.3090	1.7614	1.7614	3.6987	3.6987
H8	2.8083	2.1894	2.9575	1.0890	3.8724	3.1075	2.3090		3.6987	3.6987	1.7614	1.7614
H9	2.1565	3.2843	1.0974	4.0256	2.5355	4.1256	1.7614	3.6987		1.7616	4.9080	4.5810
H10	2.1565	3.2843	1.0974	4.0256	2.5355	4.1256	1.7614	3.6987	1.7616		4.5810	4.9080
H11	3.2843	2.1565	4.0256	1.0974	4.1256	2.5355	3.6987	1.7614	4.9080	4.5810		1.7616
H12	3.2843	2.1565	4.0256	1.0974	4.1256	2.5355	3.6987	1.7614	4.5810	4.9080	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.857	C1	C2	H6	116.569
C1	C3	H7	113.825	C1	C3	H9	110.622
C1	C3	H10	110.622	C2	C1	C3	129.857
C2	C1	H5	116.569	C2	C4	H8	113.825
C2	C4	H11	110.622	C2	C4	H12	110.622
C3	C1	H5	113.573	C4	C2	H6	113.573
H7	C3	H9	107.341	H7	C3	H10	107.341
H8	C4	H11	107.341	H8	C4	H12	107.341
H9	C3	H10	106.769	H11	C4	H12	106.769

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

using model chemistry: wB97X-D/3-21G*

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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Number	Element	Mulliken
1	C	-0.197
2	C	-0.197
3	C	-0.666
4	C	-0.666
5	H	0.205
6	H	0.205
7	H	0.216
8	H	0.216
9	H	0.221
10	H	0.221
11	H	0.221
12	H	0.221

<r²>	98.828
(<r²>)^1/2	9.941

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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