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	hartrees
Energy at 0K	-26.882414
Energy at 298.15K	-26.890662
HF Energy	-26.524748
Nuclear repulsion energy	65.411606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3113	3039	92.85
2	A	3087	3013	8.02
3	A	2967	2896	25.99
4	A	1664	1624	4.60
5	A	1531	1494	5.81
6	A	1465	1429	7.42
7	A	1305	1274	0.43
8	A	1034	1009	0.65
9	A	852	832	0.66
10	A	288	281	0.04
11	A	3049	2975	0.00
12	A	1494	1458	0.00
13	A	1065	1039	0.00
14	A	923	901	0.00
15	A	337	329	0.00
16	A	3049	2976	75.16
17	A	1506	1470	13.57
18	A	1088	1062	6.60
19	A	685	669	51.03
20	A	79	77	0.80
21	A	3085	3011	42.38
22	A	3069	2996	5.18
23	A	2963	2892	50.33
24	A	1525	1489	6.08
25	A	1455	1420	3.93
26	A	1423	1388	4.07
27	A	1167	1139	0.53
28	A	985	962	8.63
29	A	561	547	4.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.688	0.683
C2	0.000	-0.688	0.683
C3	0.000	1.622	-0.536
C4	0.000	-1.622	-0.536
H5	0.000	1.193	1.657
H6	0.000	-1.193	1.657
H7	0.000	1.065	-1.486
H8	0.000	-1.065	-1.486
H9	-0.891	2.275	-0.524
H10	0.891	2.275	-0.524
H11	0.891	-2.275	-0.524
H12	-0.891	-2.275	-0.524

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3751	1.5360	2.6116	1.0981	2.1182	2.2010	2.7879	2.1842	2.1842	3.3208	3.3208
C2	1.3751		2.6116	1.5360	2.1182	1.0981	2.7879	2.2010	3.3208	3.3208	2.1842	2.1842
C3	1.5360	2.6116		3.2441	2.2355	3.5690	1.1009	2.8495	1.1047	1.1047	3.9978	3.9978
C4	2.6116	1.5360	3.2441		3.5690	2.2355	2.8495	1.1009	3.9978	3.9978	1.1047	1.1047
H5	1.0981	2.1182	2.2355	3.5690		2.3859	3.1459	3.8700	2.5932	2.5932	4.1930	4.1930
H6	2.1182	1.0981	3.5690	2.2355	2.3859		3.8700	3.1459	4.1930	4.1930	2.5932	2.5932
H7	2.2010	2.7879	1.1009	2.8495	3.1459	3.8700		2.1293	1.7843	1.7843	3.5879	3.5879
H8	2.7879	2.2010	2.8495	1.1009	3.8700	3.1459	2.1293		3.5879	3.5879	1.7843	1.7843
H9	2.1842	3.3208	1.1047	3.9978	2.5932	4.1930	1.7843	3.5879		1.7816	4.8868	4.5504
H10	2.1842	3.3208	1.1047	3.9978	2.5932	4.1930	1.7843	3.5879	1.7816		4.5504	4.8868
H11	3.3208	2.1842	3.9978	1.1047	4.1930	2.5932	3.5879	1.7843	4.8868	4.5504		1.7816
H12	3.3208	2.1842	3.9978	1.1047	4.1930	2.5932	3.5879	1.7843	4.5504	4.8868	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.474	C1	C2	H6	117.404
C1	C3	H7	112.106	C1	C3	H9	110.547
C1	C3	H10	110.547	C2	C1	C3	127.474
C2	C1	H5	117.404	C2	C4	H8	112.106
C2	C4	H11	110.547	C2	C4	H12	110.547
C3	C1	H5	115.121	C4	C2	H6	115.121
H7	C3	H9	107.991	H7	C3	H10	107.991
H8	C4	H11	107.991	H8	C4	H12	107.991
H9	C3	H10	107.493	H11	C4	H12	107.493

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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