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	hartrees
Energy at 0K	-156.458576
Energy at 298.15K	-156.466191
HF Energy	-156.045330
Nuclear repulsion energy	116.027629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3133	3006	76.55
2	A	3111	2985	6.54
3	A	3014	2892	13.91
4	A	1739	1669	1.32
5	A	1557	1494	6.13
6	A	1485	1425	6.68
7	A	1333	1279	0.17
8	A	1059	1016	1.35
9	A	874	839	0.44
10	A	301	289	0.01
11	A	3065	2941	0.00
12	A	1537	1475	0.00
13	A	1104	1059	0.00
14	A	997	956	0.00
15	A	382	366	0.00
16	A	96	92	0.00
17	A	3066	2941	61.60
18	A	1543	1481	11.06
19	A	1112	1067	1.61
20	A	709	680	38.62
21	A	93	89	0.54
22	A	3107	2982	30.14
23	A	3093	2967	4.06
24	A	3010	2888	39.75
25	A	1550	1487	3.67
26	A	1478	1418	5.67
27	A	1460	1401	0.43
28	A	1186	1138	1.37
29	A	1001	961	6.22
30	A	582	558	4.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.678	0.674
C2	0.000	-0.678	0.674
C3	0.000	1.610	-0.529
C4	0.000	-1.610	-0.529
H5	0.000	1.188	1.645
H6	0.000	-1.188	1.645
H7	0.000	1.062	-1.484
H8	0.000	-1.062	-1.484
H9	-0.889	2.265	-0.516
H10	0.889	2.265	-0.516
H11	0.889	-2.265	-0.516
H12	-0.889	-2.265	-0.516

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3552	1.5224	2.5851	1.0972	2.1034	2.1916	2.7717	2.1739	2.1739	3.2961	3.2961
C2	1.3552		2.5851	1.5224	2.1034	1.0972	2.7717	2.1916	3.2961	3.2961	2.1739	2.1739
C3	1.5224	2.5851		3.2209	2.2150	3.5440	1.1006	2.8380	1.1044	1.1044	3.9761	3.9761
C4	2.5851	1.5224	3.2209		3.5440	2.2150	2.8380	1.1006	3.9761	3.9761	1.1044	1.1044
H5	1.0972	2.1034	2.2150	3.5440		2.3764	3.1313	3.8541	2.5729	2.5729	4.1694	4.1694
H6	2.1034	1.0972	3.5440	2.2150	2.3764		3.8541	3.1313	4.1694	4.1694	2.5729	2.5729
H7	2.1916	2.7717	1.1006	2.8380	3.1313	3.8541		2.1246	1.7816	1.7816	3.5775	3.5775
H8	2.7717	2.1916	2.8380	1.1006	3.8541	3.1313	2.1246		3.5775	3.5775	1.7816	1.7816
H9	2.1739	3.2961	1.1044	3.9761	2.5729	4.1694	1.7816	3.5775		1.7789	4.8666	4.5298
H10	2.1739	3.2961	1.1044	3.9761	2.5729	4.1694	1.7816	3.5775	1.7789		4.5298	4.8666
H11	3.2961	2.1739	3.9761	1.1044	4.1694	2.5729	3.5775	1.7816	4.8666	4.5298		1.7789
H12	3.2961	2.1739	3.9761	1.1044	4.1694	2.5729	3.5775	1.7816	4.5298	4.8666	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.787	C1	C2	H6	117.733
C1	C3	H7	112.344	C1	C3	H9	110.697
C1	C3	H10	110.697	C2	C1	C3	127.787
C2	C1	H5	117.733	C2	C4	H8	112.344
C2	C4	H11	110.697	C2	C4	H12	110.697
C3	C1	H5	114.480	C4	C2	H6	114.480
H7	C3	H9	107.803	H7	C3	H10	107.803
H8	C4	H11	107.803	H8	C4	H12	107.803
H9	C3	H10	107.298	H11	C4	H12	107.298

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

using model chemistry: CCD/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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All results from a given calculation for CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: CCD/6-31G

States and conformations

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