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	hartrees
Energy at 0K	-157.048691
Energy at 298.15K	-157.056384
HF Energy	-157.048691
Nuclear repulsion energy	117.532553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3041	53.41
2	A₁	3157	3015	11.54
3	A₁	3051	2913	16.73
4	A₁	1758	1678	7.41
5	A₁	1496	1428	7.85
6	A₁	1418	1354	6.50
7	A₁	1293	1235	0.17
8	A₁	1027	981	0.51
9	A₁	884	844	0.77
10	A₁	286	273	0.01
11	A₂	3107	2966	0.00
12	A₂	1480	1414	0.00
13	A₂	1058	1010	0.00
14	A₂	1006	961	0.00
15	A₂	397	379	0.00
16	A₂	138	132	0.00
17	B₁	3107	2967	34.04
18	B₁	1486	1419	16.21
19	B₁	1062	1014	4.56
20	B₁	697	666	49.31
21	B₁	124	118	1.54
22	B₂	3164	3021	15.75
23	B₂	3146	3004	3.23
24	B₂	3048	2911	42.68
25	B₂	1489	1422	5.46
26	B₂	1442	1377	12.81
27	B₂	1385	1322	1.24
28	B₂	1159	1107	0.37
29	B₂	994	949	18.19
30	B₂	568	542	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.663
C2	0.000	-0.669	0.663
C3	0.000	1.583	-0.521
C4	0.000	-1.583	-0.521
H5	0.000	1.167	1.633
H6	0.000	-1.167	1.633
H7	0.000	1.046	-1.473
H8	0.000	-1.046	-1.473
H9	-0.879	2.239	-0.507
H10	0.879	2.239	-0.507
H11	0.879	-2.239	-0.507
H12	-0.879	-2.239	-0.507

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3386	1.4963	2.5451	1.0901	2.0767	2.1691	2.7396	2.1465	2.1465	3.2560	3.2560
C2	1.3386		2.5451	1.4963	2.0767	1.0901	2.7396	2.1691	3.2560	3.2560	2.1465	2.1465
C3	1.4963	2.5451		3.1666	2.1944	3.4938	1.0925	2.7962	1.0969	1.0969	3.9222	3.9222
C4	2.5451	1.4963	3.1666		3.4938	2.1944	2.7962	1.0925	3.9222	3.9222	1.0969	1.0969
H5	1.0901	2.0767	2.1944	3.4938		2.3341	3.1083	3.8138	2.5502	2.5502	4.1178	4.1178
H6	2.0767	1.0901	3.4938	2.1944	2.3341		3.8138	3.1083	4.1178	4.1178	2.5502	2.5502
H7	2.1691	2.7396	1.0925	2.7962	3.1083	3.8138		2.0922	1.7687	1.7687	3.5352	3.5352
H8	2.7396	2.1691	2.7962	1.0925	3.8138	3.1083	2.0922		3.5352	3.5352	1.7687	1.7687
H9	2.1465	3.2560	1.0969	3.9222	2.5502	4.1178	1.7687	3.5352		1.7583	4.8110	4.4781
H10	2.1465	3.2560	1.0969	3.9222	2.5502	4.1178	1.7687	3.5352	1.7583		4.4781	4.8110
H11	3.2560	2.1465	3.9222	1.0969	4.1178	2.5502	3.5352	1.7687	4.8110	4.4781		1.7583
H12	3.2560	2.1465	3.9222	1.0969	4.1178	2.5502	3.5352	1.7687	4.4781	4.8110	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.649	C1	C2	H6	117.168
C1	C3	H7	112.900	C1	C3	H9	110.790
C1	C3	H10	110.790	C2	C1	C3	127.649
C2	C1	H5	117.168	C2	C4	H8	112.900
C2	C4	H11	110.790	C2	C4	H12	110.790
C3	C1	H5	115.183	C4	C2	H6	115.183
H7	C3	H9	107.770	H7	C3	H10	107.770
H8	C4	H11	107.770	H8	C4	H12	107.770
H9	C3	H10	106.549	H11	C4	H12	106.549

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.015
2	C	0.015
3	C	-0.664
4	C	-0.664
5	H	0.146
6	H	0.146
7	H	0.156
8	H	0.156
9	H	0.173
10	H	0.173
11	H	0.173
12	H	0.173

<r²>	99.318
(<r²>)^1/2	9.966

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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