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	hartrees
Energy at 0K	-155.483615
Energy at 298.15K	-155.491414
Nuclear repulsion energy	117.856692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3096	3040	34.96
2	A	3068	3013	4.01
3	A	2973	2919	9.87
4	A	1723	1692	1.74
5	A	1499	1472	14.89
6	A	1406	1381	20.46
7	A	1283	1260	1.11
8	A	1025	1007	1.79
9	A	885	869	1.26
10	A	323	317	0.07
11	A	3026	2972	0.00
12	A	1484	1457	0.00
13	A	1058	1039	0.00
14	A	984	966	0.00
15	A	390	383	0.00
16	A	184	181	0.00
17	A	3027	2973	20.82
18	A	1488	1462	22.66
19	A	1054	1035	0.55
20	A	684	672	60.03
21	A	131	129	1.87
22	A	3079	3024	8.94
23	A	3059	3004	0.75
24	A	2972	2918	19.29
25	A	1485	1458	8.49
26	A	1414	1389	9.98
27	A	1382	1357	3.29
28	A	1153	1132	5.08
29	A	991	973	25.64
30	A	578	567	12.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.674
C2	0.000	-0.668	0.674
C3	0.000	1.552	-0.526
C4	0.000	-1.552	-0.526
H5	0.000	1.188	1.642
H6	0.000	-1.188	1.642
H7	0.000	0.973	-1.466
H8	0.000	-0.973	-1.466
H9	-0.889	2.212	-0.531
H10	0.889	2.212	-0.531
H11	0.889	-2.212	-0.531
H12	-0.889	-2.212	-0.531

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3361	1.4905	2.5237	1.0991	2.0934	2.1611	2.6965	2.1509	2.1509	3.2460	3.2460
C2	1.3361		2.5237	1.4905	2.0934	1.0991	2.6965	2.1611	3.2460	3.2460	2.1509	2.1509
C3	1.4905	2.5237		3.1043	2.1987	3.4942	1.1034	2.6945	1.1072	1.1072	3.8676	3.8676
C4	2.5237	1.4905	3.1043		3.4942	2.1987	2.6945	1.1034	3.8676	3.8676	1.1072	1.1072
H5	1.0991	2.0934	2.1987	3.4942		2.3758	3.1152	3.7854	2.5619	2.5619	4.1319	4.1319
H6	2.0934	1.0991	3.4942	2.1987	2.3758		3.7854	3.1152	4.1319	4.1319	2.5619	2.5619
H7	2.1611	2.6965	1.1034	2.6945	3.1152	3.7854		1.9467	1.7881	1.7881	3.4364	3.4364
H8	2.6965	2.1611	2.6945	1.1034	3.7854	3.1152	1.9467		3.4364	3.4364	1.7881	1.7881
H9	2.1509	3.2460	1.1072	3.8676	2.5619	4.1319	1.7881	3.4364		1.7783	4.7678	4.4237
H10	2.1509	3.2460	1.1072	3.8676	2.5619	4.1319	1.7881	3.4364	1.7783		4.4237	4.7678
H11	3.2460	2.1509	3.8676	1.1072	4.1319	2.5619	3.4364	1.7881	4.7678	4.4237		1.7783
H12	3.2460	2.1509	3.8676	1.1072	4.1319	2.5619	3.4364	1.7881	4.4237	4.7678	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.381	C1	C2	H6	118.227
C1	C3	H7	111.982	C1	C3	H9	110.926
C1	C3	H10	110.926	C2	C1	C3	126.381
C2	C1	H5	118.227	C2	C4	H8	111.982
C2	C4	H11	110.926	C2	C4	H12	110.926
C3	C1	H5	115.392	C4	C2	H6	115.392
H7	C3	H9	107.976	H7	C3	H10	107.976
H8	C4	H11	107.976	H8	C4	H12	107.976
H9	C3	H10	106.849	H11	C4	H12	106.849

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

using model chemistry: LSDA/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	-0.177
2	C	-0.177
3	C	-0.692
4	C	-0.692
5	H	0.196
6	H	0.196
7	H	0.217
8	H	0.217
9	H	0.228
10	H	0.228
11	H	0.228
12	H	0.228

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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