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	hartrees
Energy at 0K	-155.606367
Energy at 298.15K	-155.614074
HF Energy	-155.242047
Nuclear repulsion energy	116.665070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3033	55.12
2	A	3171	3017	0.00
3	A	3080	2930	9.22
4	A	1711	1628	0.96
5	A	1599	1521	6.22
6	A	1501	1428	8.08
7	A	1353	1287	0.40
8	A	1071	1018	1.62
9	A	856	814	0.47
10	A	311	295	0.03
11	A	3131	2979	0.00
12	A	1590	1512	0.00
13	A	1125	1070	0.00
14	A	1024	974	0.00
15	A	387	368	0.00
16	A	122	117	0.00
17	A	3132	2979	40.08
18	A	1594	1517	11.45
19	A	1134	1078	0.48
20	A	718	683	45.87
21	A	100	95	0.68
22	A	3168	3013	21.66
23	A	3149	2996	0.01
24	A	3077	2928	23.76
25	A	1595	1517	3.85
26	A	1489	1417	5.74
27	A	1481	1408	0.01
28	A	1195	1137	3.29
29	A	978	931	8.39
30	A	590	561	6.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.677
C2	0.000	-0.673	0.677
C3	0.000	1.596	-0.532
C4	0.000	-1.596	-0.532
H5	0.000	1.184	1.640
H6	0.000	-1.184	1.640
H7	0.000	1.035	-1.471
H8	0.000	-1.035	-1.471
H9	-0.886	2.243	-0.520
H10	0.886	2.243	-0.520
H11	0.886	-2.243	-0.520
H12	-0.886	-2.243	-0.520

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3458	1.5213	2.5709	1.0898	2.0917	2.1783	2.7442	2.1636	2.1636	3.2738	3.2738
C2	1.3458		2.5709	1.5213	2.0917	1.0898	2.7442	2.1783	3.2738	3.2738	2.1636	2.1636
C3	1.5213	2.5709		3.1914	2.2106	3.5277	1.0933	2.7931	1.0970	1.0970	3.9394	3.9394
C4	2.5709	1.5213	3.1914		3.5277	2.2106	2.7931	1.0933	3.9394	3.9394	1.0970	1.0970
H5	1.0898	2.0917	2.2106	3.5277		2.3683	3.1141	3.8209	2.5627	2.5627	4.1462	4.1462
H6	2.0917	1.0898	3.5277	2.2106	2.3683		3.8209	3.1141	4.1462	4.1462	2.5627	2.5627
H7	2.1783	2.7442	1.0933	2.7931	3.1141	3.8209		2.0699	1.7743	1.7743	3.5260	3.5260
H8	2.7442	2.1783	2.7931	1.0933	3.8209	3.1141	2.0699		3.5260	3.5260	1.7743	1.7743
H9	2.1636	3.2738	1.0970	3.9394	2.5627	4.1462	1.7743	3.5260		1.7714	4.8227	4.4856
H10	2.1636	3.2738	1.0970	3.9394	2.5627	4.1462	1.7743	3.5260	1.7714		4.4856	4.8227
H11	3.2738	2.1636	3.9394	1.0970	4.1462	2.5627	3.5260	1.7743	4.8227	4.4856		1.7714
H12	3.2738	2.1636	3.9394	1.0970	4.1462	2.5627	3.5260	1.7743	4.4856	4.8227	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.344	C1	C2	H6	117.975
C1	C3	H7	111.799	C1	C3	H9	110.403
C1	C3	H10	110.403	C2	C1	C3	127.344
C2	C1	H5	117.975	C2	C4	H8	111.799
C2	C4	H11	110.403	C2	C4	H12	110.403
C3	C1	H5	114.681	C4	C2	H6	114.681
H7	C3	H9	108.208	H7	C3	H10	108.208
H8	C4	H11	108.208	H8	C4	H12	108.208
H9	C3	H10	107.687	H11	C4	H12	107.687

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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