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	hartrees
Energy at 0K	-27.065885
Energy at 298.15K	-27.073602
Nuclear repulsion energy	64.761570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3029	0.00
2	A	3181	3020	0.00
3	A	3077	2922	0.00
4	A	1744	1656	0.00
5	A	1520	1443	0.00
6	A	1447	1373	0.00
7	A	1342	1274	0.00
8	A	1192	1132	0.00
9	A	894	849	0.00
10	A	499	474	0.00
11	A	3161	3001	62.23
12	A	1505	1429	18.47
13	A	1090	1035	4.49
14	A	1019	968	66.66
15	A	247	235	5.34
16	A	175	166	1.28
17	A	3161	3001	0.00
18	A	1504	1428	0.00
19	A	1079	1025	0.00
20	A	762	724	0.00
21	A	224	213	0.00
22	A	3190	3029	90.31
23	A	3175	3015	9.70
24	A	3077	2922	72.14
25	A	1527	1450	19.92
26	A	1449	1375	4.96
27	A	1335	1267	3.92
28	A	1115	1058	1.08
29	A	997	946	14.04
30	A	283	268	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.685	0.000
C2	0.000	-0.685	0.000
C3	-1.262	1.534	0.000
C4	1.262	-1.534	0.000
H5	0.964	1.212	0.000
H6	-0.964	-1.212	0.000
H7	-2.163	0.897	0.000
H8	2.163	-0.897	0.000
H9	-1.298	2.189	0.891
H10	-1.298	2.189	-0.891
H11	1.298	-2.189	0.891
H12	1.298	-2.189	-0.891

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3699	1.5211	2.5530	1.0992	2.1284	2.1730	2.6795	2.1772	2.1772	3.2768	3.2768
C2	1.3699		2.5530	1.5211	2.1284	1.0992	2.6795	2.1730	3.2768	3.2768	2.1772	2.1772
C3	1.5211	2.5530		3.9732	2.2493	2.7630	1.1036	4.1998	1.1061	1.1061	4.6053	4.6053
C4	2.5530	1.5211	3.9732		2.7630	2.2493	4.1998	1.1036	4.6053	4.6053	1.1061	1.1061
H5	1.0992	2.1284	2.2493	2.7630		3.0984	3.1428	2.4261	2.6201	2.6201	3.5319	3.5319
H6	2.1284	1.0992	2.7630	2.2493	3.0984		2.4261	3.1428	3.5319	3.5319	2.6201	2.6201
H7	2.1730	2.6795	1.1036	4.1998	3.1428	2.4261		4.6826	1.7918	1.7918	4.7214	4.7214
H8	2.6795	2.1730	4.1998	1.1036	2.4261	3.1428	4.6826		4.7214	4.7214	1.7918	1.7918
H9	2.1772	3.2768	1.1061	4.6053	2.6201	3.5319	1.7918	4.7214		1.7821	5.0894	5.3924
H10	2.1772	3.2768	1.1061	4.6053	2.6201	3.5319	1.7918	4.7214	1.7821		5.3924	5.0894
H11	3.2768	2.1772	4.6053	1.1061	3.5319	2.6201	4.7214	1.7918	5.0894	5.3924		1.7821
H12	3.2768	2.1772	4.6053	1.1061	3.5319	2.6201	4.7214	1.7918	5.3924	5.0894	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.953	C1	C2	H6	118.678
C1	C3	H7	110.765	C1	C3	H9	110.946
C1	C3	H10	110.946	C2	C1	C3	123.953
C2	C1	H5	118.678	C2	C4	H8	110.765
C2	C4	H11	110.946	C2	C4	H12	110.946
C3	C1	H5	117.369	C4	C2	H6	117.369
H7	C3	H9	108.364	H7	C3	H10	108.364
H8	C4	H11	108.364	H8	C4	H12	108.364
H9	C3	H10	107.333	H11	C4	H12	107.333

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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