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	hartrees
Energy at 0K	-156.412987
Energy at 298.15K	-156.420727
HF Energy	-156.048499
Nuclear repulsion energy	114.664367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3010	0.00
2	A	3130	2995	0.00
3	A	3046	2915	0.00
4	A	1732	1657	0.00
5	A	1571	1503	0.00
6	A	1490	1425	0.00
7	A	1377	1318	0.00
8	A	1208	1156	0.00
9	A	900	862	0.00
10	A	508	486	0.00
11	A	3117	2982	60.85
12	A	1553	1486	12.71
13	A	1129	1080	0.20
14	A	1011	967	35.96
15	A	247	236	3.61
16	A	166	159	0.78
17	A	3117	2983	0.00
18	A	1554	1486	0.00
19	A	1114	1066	0.00
20	A	755	723	0.00
21	A	209	200	0.00
22	A	3152	3016	91.03
23	A	3128	2993	18.17
24	A	3046	2914	61.31
25	A	1576	1508	13.21
26	A	1489	1425	6.46
27	A	1388	1328	2.82
28	A	1099	1051	0.11
29	A	1039	994	11.15
30	A	288	275	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.677	0.000
C2	0.000	-0.677	0.000
C3	-1.245	1.543	0.000
C4	1.245	-1.543	0.000
H5	0.958	1.208	0.000
H6	-0.958	-1.208	0.000
H7	-2.150	0.918	0.000
H8	2.150	-0.918	0.000
H9	-1.281	2.193	0.887
H10	-1.281	2.193	-0.887
H11	1.281	-2.193	0.887
H12	1.281	-2.193	-0.887

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3537	1.5163	2.5447	1.0955	2.1142	2.1633	2.6767	2.1741	2.1741	3.2658	3.2658
C2	1.3537		2.5447	1.5163	2.1142	1.0955	2.6767	2.1633	3.2658	3.2658	2.1741	2.1741
C3	1.5163	2.5447		3.9645	2.2285	2.7652	1.0998	4.1925	1.1006	1.1006	4.5960	4.5960
C4	2.5447	1.5163	3.9645		2.7652	2.2285	4.1925	1.0998	4.5960	4.5960	1.1006	1.1006
H5	1.0955	2.1142	2.2285	2.7652		3.0834	3.1217	2.4366	2.6022	2.6022	3.5296	3.5296
H6	2.1142	1.0955	2.7652	2.2285	3.0834		2.4366	3.1217	3.5296	3.5296	2.6022	2.6022
H7	2.1633	2.6767	1.0998	4.1925	3.1217	2.4366		4.6751	1.7803	1.7803	4.7153	4.7153
H8	2.6767	2.1633	4.1925	1.0998	2.4366	3.1217	4.6751		4.7153	4.7153	1.7803	1.7803
H9	2.1741	3.2658	1.1006	4.5960	2.6022	3.5296	1.7803	4.7153		1.7735	5.0799	5.3806
H10	2.1741	3.2658	1.1006	4.5960	2.6022	3.5296	1.7803	4.7153	1.7735		5.3806	5.0799
H11	3.2658	2.1741	4.5960	1.1006	3.5296	2.6022	4.7153	1.7803	5.0799	5.3806		1.7735
H12	3.2658	2.1741	4.5960	1.1006	3.5296	2.6022	4.7153	1.7803	5.3806	5.0799	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.816	C1	C2	H6	118.983
C1	C3	H7	110.558	C1	C3	H9	111.368
C1	C3	H10	111.368	C2	C1	C3	124.816
C2	C1	H5	118.983	C2	C4	H8	110.558
C2	C4	H11	111.368	C2	C4	H12	111.368
C3	C1	H5	116.201	C4	C2	H6	116.201
H7	C3	H9	108.015	H7	C3	H10	108.015
H8	C4	H11	108.015	H8	C4	H12	108.015
H9	C3	H10	107.362	H11	C4	H12	107.362

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

using model chemistry: MP2/6-31G

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, (E)-)

using model chemistry: MP2/6-31G

States and conformations

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