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	hartrees
Energy at 0K	-155.612961
Energy at 298.15K	-155.620681
HF Energy	-155.242090
Nuclear repulsion energy	116.685589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3045	54.91
2	A	3172	3029	0.01
3	A	3081	2942	9.19
4	A	1712	1635	0.95
5	A	1599	1527	6.27
6	A	1501	1433	8.13
7	A	1353	1292	0.41
8	A	1071	1022	1.63
9	A	856	817	0.47
10	A	311	297	0.03
11	A	3132	2990	0.00
12	A	1590	1518	0.00
13	A	1125	1074	0.00
14	A	1025	978	0.00
15	A	387	370	0.00
16	A	122	117	0.00
17	A	3132	2991	39.86
18	A	1594	1522	11.50
19	A	1134	1082	0.48
20	A	719	686	45.88
21	A	100	95	0.68
22	A	3168	3025	21.54
23	A	3150	3008	0.00
24	A	3078	2939	23.65
25	A	1595	1523	3.89
26	A	1490	1422	5.74
27	A	1481	1414	0.00
28	A	1195	1141	3.30
29	A	979	934	8.43
30	A	590	563	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.677
C2	0.000	-0.673	0.677
C3	0.000	1.595	-0.532
C4	0.000	-1.595	-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	2.242	-0.520
H10	0.886	2.242	-0.520
H11	0.886	-2.242	-0.520
H12	-0.886	-2.242	-0.520

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3456	1.5210	2.5703	1.0897	2.0913	2.1780	2.7437	2.1633	2.1633	3.2733	3.2733
C2	1.3456		2.5703	1.5210	2.0913	1.0897	2.7437	2.1780	3.2733	3.2733	2.1633	2.1633
C3	1.5210	2.5703		3.1907	2.2103	3.5271	1.0932	2.7925	1.0968	1.0968	3.9386	3.9386
C4	2.5703	1.5210	3.1907		3.5271	2.2103	2.7925	1.0932	3.9386	3.9386	1.0968	1.0968
H5	1.0897	2.0913	2.2103	3.5271		2.3679	3.1137	3.8203	2.5624	2.5624	4.1455	4.1455
H6	2.0913	1.0897	3.5271	2.2103	2.3679		3.8203	3.1137	4.1455	4.1455	2.5624	2.5624
H7	2.1780	2.7437	1.0932	2.7925	3.1137	3.8203		2.0694	1.7740	1.7740	3.5253	3.5253
H8	2.7437	2.1780	2.7925	1.0932	3.8203	3.1137	2.0694		3.5253	3.5253	1.7740	1.7740
H9	2.1633	3.2733	1.0968	3.9386	2.5624	4.1455	1.7740	3.5253		1.7711	4.8219	4.4848
H10	2.1633	3.2733	1.0968	3.9386	2.5624	4.1455	1.7740	3.5253	1.7711		4.4848	4.8219
H11	3.2733	2.1633	3.9386	1.0968	4.1455	2.5624	3.5253	1.7740	4.8219	4.4848		1.7711
H12	3.2733	2.1633	3.9386	1.0968	4.1455	2.5624	3.5253	1.7740	4.4848	4.8219	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.342	C1	C2	H6	117.974
C1	C3	H7	111.802	C1	C3	H9	110.408
C1	C3	H10	110.408	C2	C1	C3	127.342
C2	C1	H5	117.974	C2	C4	H8	111.802
C2	C4	H11	110.408	C2	C4	H12	110.408
C3	C1	H5	114.684	C4	C2	H6	114.684
H7	C3	H9	108.203	H7	C3	H10	108.203
H8	C4	H11	108.203	H8	C4	H12	108.203
H9	C3	H10	107.683	H11	C4	H12	107.683

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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