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	hartrees
Energy at 0K	-155.615137
Energy at 298.15K	-155.622899
HF Energy	-155.244559
Nuclear repulsion energy	114.972018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3015	0.00
2	A	3144	3002	0.00
3	A	3072	2934	0.00
4	A	1722	1644	0.00
5	A	1594	1522	0.00
6	A	1494	1426	0.00
7	A	1390	1327	0.00
8	A	1198	1144	0.00
9	A	886	846	0.00
10	A	511	487	0.00
11	A	3133	2992	43.01
12	A	1586	1514	12.62
13	A	1138	1086	0.10
14	A	1027	980	37.77
15	A	247	235	4.05
16	A	166	158	0.85
17	A	3133	2992	0.00
18	A	1586	1515	0.00
19	A	1128	1077	0.00
20	A	763	729	0.00
21	A	210	201	0.00
22	A	3167	3023	61.39
23	A	3142	3000	12.97
24	A	3072	2933	39.45
25	A	1603	1531	13.70
26	A	1494	1426	7.51
27	A	1398	1335	2.11
28	A	1074	1025	4.94
29	A	1029	983	8.11
30	A	291	278	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.000
C2	0.000	-0.671	0.000
C3	-1.252	1.533	0.000
C4	1.252	-1.533	0.000
H5	0.952	1.205	0.000
H6	-0.952	-1.205	0.000
H7	-2.148	0.902	0.000
H8	2.148	-0.902	0.000
H9	-1.284	2.179	0.886
H10	-1.284	2.179	-0.886
H11	1.284	-2.179	0.886
H12	1.284	-2.179	-0.886

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3425	1.5200	2.5352	1.0909	2.1035	2.1605	2.6628	2.1692	2.1692	3.2489	3.2489
C2	1.3425		2.5352	1.5200	2.1035	1.0909	2.6628	2.1605	3.2489	3.2489	2.1692	2.1692
C3	1.5200	2.5352		3.9589	2.2279	2.7544	1.0959	4.1824	1.0966	1.0966	4.5818	4.5818
C4	2.5352	1.5200	3.9589		2.7544	2.2279	4.1824	1.0959	4.5818	4.5818	1.0966	1.0966
H5	1.0909	2.1035	2.2279	2.7544		3.0704	3.1143	2.4231	2.5943	2.5943	3.5132	3.5132
H6	2.1035	1.0909	2.7544	2.2279	3.0704		2.4231	3.1143	3.5132	3.5132	2.5943	2.5943
H7	2.1605	2.6628	1.0959	4.1824	3.1143	2.4231		4.6598	1.7779	1.7779	4.6963	4.6963
H8	2.6628	2.1605	4.1824	1.0959	2.4231	3.1143	4.6598		4.6963	4.6963	1.7779	1.7779
H9	2.1692	3.2489	1.0966	4.5818	2.5943	3.5132	1.7779	4.6963		1.7721	5.0575	5.3590
H10	2.1692	3.2489	1.0966	4.5818	2.5943	3.5132	1.7779	4.6963	1.7721		5.3590	5.0575
H11	3.2489	2.1692	4.5818	1.0966	3.5132	2.5943	4.6963	1.7779	5.0575	5.3590		1.7721
H12	3.2489	2.1692	4.5818	1.0966	3.5132	2.5943	4.6963	1.7779	5.3590	5.0575	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.545	C1	C2	H6	119.279
C1	C3	H7	110.305	C1	C3	H9	110.957
C1	C3	H10	110.957	C2	C1	C3	124.545
C2	C1	H5	119.279	C2	C4	H8	110.305
C2	C4	H11	110.957	C2	C4	H12	110.957
C3	C1	H5	116.176	C4	C2	H6	116.176
H7	C3	H9	108.363	H7	C3	H10	108.363
H8	C4	H11	108.363	H8	C4	H12	108.363
H9	C3	H10	107.794	H11	C4	H12	107.794

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

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, (E)-)

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

States and conformations

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