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	hartrees
Energy at 0K	-26.835501
Energy at 298.15K	-26.843016
HF Energy	-26.510905
Nuclear repulsion energy	64.902156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3056	129.28
2	A	3145	3039	0.04
3	A	3031	2929	27.73
4	A	1686	1630	3.58
5	A	1527	1476	7.84
6	A	1466	1416	7.14
7	A	1298	1254	0.49
8	A	1038	1003	1.16
9	A	861	832	0.76
10	A	289	279	0.07
11	A	3108	3003	0.00
12	A	1502	1451	0.00
13	A	1069	1033	0.00
14	A	935	903	0.00
15	A	352	340	0.00
16	A	102	99	0.00
17	A	3109	3005	107.25
18	A	1511	1460	16.61
19	A	1089	1052	3.73
20	A	696	672	69.34
21	A	96	93	0.94
22	A	3140	3034	56.00
23	A	3108	3003	2.77
24	A	3027	2925	60.10
25	A	1521	1470	6.74
26	A	1457	1408	2.86
27	A	1417	1369	3.30
28	A	1173	1134	1.43
29	A	992	958	10.61
30	A	555	536	6.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.697	0.689
C2	0.000	-0.697	0.689
C3	0.000	1.632	-0.542
C4	0.000	-1.632	-0.542
H5	0.000	1.204	1.672
H6	0.000	-1.204	1.672
H7	0.000	1.069	-1.497
H8	0.000	-1.069	-1.497
H9	-0.897	2.291	-0.530
H10	0.897	2.291	-0.530
H11	0.897	-2.291	-0.530
H12	-0.897	-2.291	-0.530

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3933	1.5459	2.6337	1.1061	2.1401	2.2175	2.8099	2.1982	2.1982	3.3489	3.3489
C2	1.3933		2.6337	1.5459	2.1401	1.1061	2.8099	2.2175	3.3489	3.3489	2.1982	2.1982
C3	1.5459	2.6337		3.2632	2.2546	3.5978	1.1086	2.8642	1.1130	1.1130	4.0236	4.0236
C4	2.6337	1.5459	3.2632		3.5978	2.2546	2.8642	1.1086	4.0236	4.0236	1.1130	1.1130
H5	1.1061	2.1401	2.2546	3.5978		2.4089	3.1717	3.8998	2.6140	2.6140	4.2272	4.2272
H6	2.1401	1.1061	3.5978	2.2546	2.4089		3.8998	3.1717	4.2272	4.2272	2.6140	2.6140
H7	2.2175	2.8099	1.1086	2.8642	3.1717	3.8998		2.1373	1.7978	1.7978	3.6089	3.6089
H8	2.8099	2.2175	2.8642	1.1086	3.8998	3.1717	2.1373		3.6089	3.6089	1.7978	1.7978
H9	2.1982	3.3489	1.1130	4.0236	2.6140	4.2272	1.7978	3.6089		1.7935	4.9200	4.5815
H10	2.1982	3.3489	1.1130	4.0236	2.6140	4.2272	1.7978	3.6089	1.7935		4.5815	4.9200
H11	3.3489	2.1982	4.0236	1.1130	4.2272	2.6140	3.6089	1.7978	4.9200	4.5815		1.7935
H12	3.3489	2.1982	4.0236	1.1130	4.2272	2.6140	3.6089	1.7978	4.5815	4.9200	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.216	C1	C2	H6	117.330
C1	C3	H7	112.267	C1	C3	H9	110.472
C1	C3	H10	110.472	C2	C1	C3	127.216
C2	C1	H5	117.330	C2	C4	H8	112.267
C2	C4	H11	110.472	C2	C4	H12	110.472
C3	C1	H5	115.455	C4	C2	H6	115.455
H7	C3	H9	108.050	H7	C3	H10	108.050
H8	C4	H11	108.050	H8	C4	H12	108.050
H9	C3	H10	107.357	H11	C4	H12	107.357

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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