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	hartrees
Energy at 0K	-156.408733
Energy at 298.15K	-156.416318
HF Energy	-156.059731
Nuclear repulsion energy	115.360422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3056	90.31
2	A	3138	3029	9.43
3	A	3018	2914	21.87
4	A	1685	1626	4.32
5	A	1544	1490	8.63
6	A	1471	1420	11.15
7	A	1319	1273	0.68
8	A	1046	1010	1.35
9	A	858	829	0.79
10	A	293	283	0.07
11	A	3096	2989	0.00
12	A	1521	1469	0.00
13	A	1087	1049	0.00
14	A	956	923	0.00
15	A	374	361	0.00
16	A	105	101	0.00
17	A	3098	2990	70.06
18	A	1530	1477	16.46
19	A	1100	1062	2.35
20	A	697	673	58.45
21	A	105	101	1.02
22	A	3135	3026	37.04
23	A	3121	3013	2.19
24	A	3015	2911	44.76
25	A	1536	1483	8.99
26	A	1462	1411	5.52
27	A	1435	1385	0.89
28	A	1180	1139	1.37
29	A	994	959	11.36
30	A	569	549	5.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.686	0.680
C2	0.000	-0.686	0.680
C3	0.000	1.619	-0.535
C4	0.000	-1.619	-0.535
H5	0.000	1.190	1.657
H6	0.000	-1.190	1.657
H7	0.000	1.064	-1.488
H8	0.000	-1.064	-1.488
H9	-0.892	2.273	-0.520
H10	0.892	2.273	-0.520
H11	0.892	-2.273	-0.520
H12	-0.892	-2.273	-0.520

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3714	1.5325	2.6055	1.0992	2.1145	2.2008	2.7859	2.1810	2.1810	3.3153	3.3153
C2	1.3714		2.6055	1.5325	2.1145	1.0992	2.7859	2.2008	3.3153	3.3153	2.1810	2.1810
C3	1.5325	2.6055		3.2375	2.2343	3.5629	1.1022	2.8465	1.1060	1.1060	3.9927	3.9927
C4	2.6055	1.5325	3.2375		3.5629	2.2343	2.8465	1.1022	3.9927	3.9927	1.1060	1.1060
H5	1.0992	2.1145	2.2343	3.5629		2.3792	3.1474	3.8689	2.5907	2.5907	4.1866	4.1866
H6	2.1145	1.0992	3.5629	2.2343	2.3792		3.8689	3.1474	4.1866	4.1866	2.5907	2.5907
H7	2.2008	2.7859	1.1022	2.8465	3.1474	3.8689		2.1275	1.7868	1.7868	3.5867	3.5867
H8	2.7859	2.2008	2.8465	1.1022	3.8689	3.1474	2.1275		3.5867	3.5867	1.7868	1.7868
H9	2.1810	3.3153	1.1060	3.9927	2.5907	4.1866	1.7868	3.5867		1.7833	4.8833	4.5461
H10	2.1810	3.3153	1.1060	3.9927	2.5907	4.1866	1.7868	3.5867	1.7833		4.5461	4.8833
H11	3.3153	2.1810	3.9927	1.1060	4.1866	2.5907	3.5867	1.7868	4.8833	4.5461		1.7833
H12	3.3153	2.1810	3.9927	1.1060	4.1866	2.5907	3.5867	1.7868	4.5461	4.8833	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.504	C1	C2	H6	117.286
C1	C3	H7	112.262	C1	C3	H9	110.456
C1	C3	H10	110.456	C2	C1	C3	127.504
C2	C1	H5	117.286	C2	C4	H8	112.262
C2	C4	H11	110.456	C2	C4	H12	110.456
C3	C1	H5	115.210	C4	C2	H6	115.210
H7	C3	H9	108.029	H7	C3	H10	108.029
H8	C4	H11	108.029	H8	C4	H12	108.029
H9	C3	H10	107.441	H11	C4	H12	107.441

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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