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	hartrees
Energy at 0K	-156.738422
Energy at 298.15K	-156.746071
HF Energy	-156.119343
Nuclear repulsion energy	116.437242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3054	58.53
2	A	3167	3038	2.69
3	A	3056	2932	14.15
4	A	1758	1686	2.96
5	A	1494	1434	4.10
6	A	1424	1366	1.61
7	A	1288	1236	0.00
8	A	1026	984	0.65
9	A	881	845	0.44
10	A	290	278	0.00
11	A	3117	2990	0.00
12	A	1480	1420	0.00
13	A	1054	1011	0.00
14	A	997	956	0.00
15	A	384	368	0.00
16	A	115	111	0.00
17	A	3117	2991	46.76
18	A	1486	1426	9.02
19	A	1068	1025	3.15
20	A	699	671	30.38
21	A	120	115	0.66
22	A	3163	3034	23.98
23	A	3148	3020	0.94
24	A	3053	2929	43.33
25	A	1489	1428	2.35
26	A	1450	1391	5.44
27	A	1387	1331	5.14
28	A	1161	1114	0.10
29	A	996	955	9.54
30	A	561	539	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.670
C2	0.000	-0.676	0.670
C3	0.000	1.598	-0.527
C4	0.000	-1.598	-0.527
H5	0.000	1.178	1.649
H6	0.000	-1.178	1.649
H7	0.000	1.054	-1.486
H8	0.000	-1.054	-1.486
H9	-0.889	2.257	-0.510
H10	0.889	2.257	-0.510
H11	0.889	-2.257	-0.510
H12	-0.889	-2.257	-0.510

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3510	1.5119	2.5699	1.1002	2.0962	2.1890	2.7639	2.1640	2.1640	3.2835	3.2835
C2	1.3510		2.5699	1.5119	2.0962	1.1002	2.7639	2.1890	3.2835	3.2835	2.1640	2.1640
C3	1.5119	2.5699		3.1965	2.2164	3.5277	1.1022	2.8200	1.1066	1.1066	3.9564	3.9564
C4	2.5699	1.5119	3.1965		3.5277	2.2164	2.8200	1.1022	3.9564	3.9564	1.1066	1.1066
H5	1.1002	2.0962	2.2164	3.5277		2.3565	3.1371	3.8482	2.5714	2.5714	4.1532	4.1532
H6	2.0962	1.1002	3.5277	2.2164	2.3565		3.8482	3.1371	4.1532	4.1532	2.5714	2.5714
H7	2.1890	2.7639	1.1022	2.8200	3.1371	3.8482		2.1079	1.7862	1.7862	3.5645	3.5645
H8	2.7639	2.1890	2.8200	1.1022	3.8482	3.1371	2.1079		3.5645	3.5645	1.7862	1.7862
H9	2.1640	3.2835	1.1066	3.9564	2.5714	4.1532	1.7862	3.5645		1.7780	4.8514	4.5139
H10	2.1640	3.2835	1.1066	3.9564	2.5714	4.1532	1.7862	3.5645	1.7780		4.5139	4.8514
H11	3.2835	2.1640	3.9564	1.1066	4.1532	2.5714	3.5645	1.7862	4.8514	4.5139		1.7780
H12	3.2835	2.1640	3.9564	1.1066	4.1532	2.5714	3.5645	1.7862	4.5139	4.8514	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.613	C1	C2	H6	117.192
C1	C3	H7	112.792	C1	C3	H9	110.517
C1	C3	H10	110.517	C2	C1	C3	127.613
C2	C1	H5	117.192	C2	C4	H8	112.792
C2	C4	H11	110.517	C2	C4	H12	110.517
C3	C1	H5	115.195	C4	C2	H6	115.195
H7	C3	H9	107.942	H7	C3	H10	107.942
H8	C4	H11	107.942	H8	C4	H12	107.942
H9	C3	H10	106.905	H11	C4	H12	106.905

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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