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	hartrees
Energy at 0K	-27.364897
Energy at 298.15K	-27.372580
Nuclear repulsion energy	65.889362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3119	3039	100.72
2	A	3090	3011	11.37
3	A	2978	2902	24.06
4	A	1704	1660	5.82
5	A	1518	1480	7.48
6	A	1442	1405	8.74
7	A	1296	1263	0.32
8	A	1029	1003	0.98
9	A	860	839	0.74
10	A	283	276	0.04
11	A	3035	2958	0.00
12	A	1508	1469	0.00
13	A	1072	1045	0.00
14	A	1010	985	0.00
15	A	390	380	0.00
16	A	129	126	0.00
17	A	3036	2958	85.79
18	A	1513	1475	18.15
19	A	1077	1049	3.45
20	A	704	686	53.43
21	A	112	109	1.24
22	A	3090	3012	37.50
23	A	3072	2993	4.42
24	A	2974	2898	68.19
25	A	1512	1473	7.21
26	A	1441	1404	7.94
27	A	1411	1375	2.02
28	A	1159	1130	1.02
29	A	983	958	14.66
30	A	567	553	6.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.679	0.699
C2	0.000	-0.679	0.699
C3	0.000	1.608	-0.506
C4	0.000	-1.608	-0.506
H5	0.000	1.183	1.670
H6	0.000	-1.183	1.670
H7	0.000	1.067	-1.459
H8	0.000	-1.067	-1.459
H9	-0.884	2.264	-0.491
H10	0.884	2.264	-0.491
H11	0.884	-2.264	-0.491
H12	-0.884	-2.264	-0.491

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3584	1.5218	2.5854	1.0935	2.1001	2.1931	2.7765	2.1703	2.1703	3.2957	3.2957
C2	1.3584		2.5854	1.5218	2.1001	1.0935	2.7765	2.1931	3.2957	3.2957	2.1703	2.1703
C3	1.5218	2.5854		3.2158	2.2171	3.5391	1.0956	2.8397	1.1007	1.1007	3.9716	3.9716
C4	2.5854	1.5218	3.2158		3.5391	2.2171	2.8397	1.0956	3.9716	3.9716	1.1007	1.1007
H5	1.0935	2.1001	2.2171	3.5391		2.3663	3.1312	3.8542	2.5728	2.5728	4.1635	4.1635
H6	2.1001	1.0935	3.5391	2.2171	2.3663		3.8542	3.1312	4.1635	4.1635	2.5728	2.5728
H7	2.1931	2.7765	1.0956	2.8397	3.1312	3.8542		2.1344	1.7749	1.7749	3.5799	3.5799
H8	2.7765	2.1931	2.8397	1.0956	3.8542	3.1312	2.1344		3.5799	3.5799	1.7749	1.7749
H9	2.1703	3.2957	1.1007	3.9716	2.5728	4.1635	1.7749	3.5799		1.7671	4.8609	4.5283
H10	2.1703	3.2957	1.1007	3.9716	2.5728	4.1635	1.7749	3.5799	1.7671		4.5283	4.8609
H11	3.2957	2.1703	3.9716	1.1007	4.1635	2.5728	3.5799	1.7749	4.8609	4.5283		1.7671
H12	3.2957	2.1703	3.9716	1.1007	4.1635	2.5728	3.5799	1.7749	4.5283	4.8609	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.607	C1	C2	H6	117.443
C1	C3	H7	112.823	C1	C3	H9	110.671
C1	C3	H10	110.671	C2	C1	C3	127.607
C2	C1	H5	117.443	C2	C4	H8	112.823
C2	C4	H11	110.671	C2	C4	H12	110.671
C3	C1	H5	114.951	C4	C2	H6	114.951
H7	C3	H9	107.826	H7	C3	H10	107.826
H8	C4	H11	107.826	H8	C4	H12	107.826
H9	C3	H10	106.777	H11	C4	H12	106.777

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

using model chemistry: B3LYP/CEP-121G

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	-0.004
2	C	-0.004
3	C	-0.572
4	C	-0.572
5	H	0.120
6	H	0.120
7	H	0.147
8	H	0.147
9	H	0.155
10	H	0.155
11	H	0.155
12	H	0.155

<r²>	86.454
(<r²>)^1/2	9.298

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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