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	hartrees
Energy at 0K	-157.010206
Energy at 298.15K	-157.017928
HF Energy	-156.839178
Nuclear repulsion energy	117.324803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3033	65.10
2	A₁	3176	3014	5.86
3	A₁	3072	2916	12.00
4	A₁	1759	1670	2.65
5	A₁	1548	1469	5.14
6	A₁	1468	1393	3.23
7	A₁	1319	1252	0.05
8	A₁	1050	996	0.70
9	A₁	887	842	0.46
10	A₁	297	282	0.00
11	A₂	3121	2962	0.00
12	A₂	1532	1454	0.00
13	A₂	1082	1027	0.00
14	A₂	1012	961	0.00
15	A₂	392	372	0.00
16	A₂	140	132	0.00
17	B₁	3122	2963	50.86
18	B₁	1537	1459	10.02
19	B₁	1095	1040	1.36
20	B₁	706	670	33.63
21	B₁	125	118	0.78
22	B₂	3175	3013	22.51
23	B₂	3159	2999	3.25
24	B₂	3069	2913	42.21
25	B₂	1540	1462	2.87
26	B₂	1478	1403	5.28
27	B₂	1430	1357	4.71
28	B₂	1182	1122	1.09
29	B₂	1004	953	11.76
30	B₂	573	544	6.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.640
C2	0.000	-0.674	0.640
C3	0.000	1.651	-0.507
C4	0.000	-1.651	-0.507
H5	0.000	1.154	1.616
H6	0.000	-1.154	1.616
H7	0.000	1.185	-1.489
H8	0.000	-1.185	-1.489
H9	-0.877	2.307	-0.461
H10	0.877	2.307	-0.461
H11	0.877	-2.307	-0.461
H12	-0.877	-2.307	-0.461

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3475	1.5067	2.5923	1.0883	2.0724	2.1892	2.8260	2.1560	2.1560	3.2964	3.2964
C2	1.3475		2.5923	1.5067	2.0724	1.0883	2.8260	2.1892	3.2964	3.2964	2.1560	2.1560
C3	1.5067	2.5923		3.3024	2.1805	3.5182	1.0870	3.0015	1.0963	1.0963	4.0547	4.0547
C4	2.5923	1.5067	3.3024		3.5182	2.1805	3.0015	1.0870	4.0547	4.0547	1.0963	1.0963
H5	1.0883	2.0724	2.1805	3.5182		2.3083	3.1053	3.8877	2.5323	2.5323	4.1309	4.1309
H6	2.0724	1.0883	3.5182	2.1805	2.3083		3.8877	3.1053	4.1309	4.1309	2.5323	2.5323
H7	2.1892	2.8260	1.0870	3.0015	3.1053	3.8877		2.3702	1.7566	1.7566	3.7447	3.7447
H8	2.8260	2.1892	3.0015	1.0870	3.8877	3.1053	2.3702		3.7447	3.7447	1.7566	1.7566
H9	2.1560	3.2964	1.0963	4.0547	2.5323	4.1309	1.7566	3.7447		1.7544	4.9366	4.6144
H10	2.1560	3.2964	1.0963	4.0547	2.5323	4.1309	1.7566	3.7447	1.7544		4.6144	4.9366
H11	3.2964	2.1560	4.0547	1.0963	4.1309	2.5323	3.7447	1.7566	4.9366	4.6144		1.7544
H12	3.2964	2.1560	4.0547	1.0963	4.1309	2.5323	3.7447	1.7566	4.6144	4.9366	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.448	C1	C2	H6	116.196
C1	C3	H7	114.161	C1	C3	H9	110.861
C1	C3	H10	110.861	C2	C1	C3	130.448
C2	C1	H5	116.196	C2	C4	H8	114.161
C2	C4	H11	110.861	C2	C4	H12	110.861
C3	C1	H5	113.356	C4	C2	H6	113.356
H7	C3	H9	107.136	H7	C3	H10	107.136
H8	C4	H11	107.136	H8	C4	H12	107.136
H9	C3	H10	106.286	H11	C4	H12	106.286

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.109
2	C	-0.109
3	C	-0.502
4	C	-0.502
5	H	0.132
6	H	0.132
7	H	0.158
8	H	0.158
9	H	0.160
10	H	0.160
11	H	0.160
12	H	0.160

<r²>	99.543
(<r²>)^1/2	9.977

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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