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	hartrees
Energy at 0K	-156.710790
Energy at 298.15K	-156.718546
Nuclear repulsion energy	116.059644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3018	0.00
2	A	3219	3008	0.00
3	A	3119	2915	0.00
4	A	1775	1659	0.00
5	A	1555	1453	0.00
6	A	1468	1372	0.00
7	A	1361	1272	0.00
8	A	1205	1126	0.00
9	A	905	846	0.00
10	A	509	476	0.00
11	A	3200	2990	44.50
12	A	1541	1440	9.77
13	A	1104	1032	0.76
14	A	1021	954	27.25
15	A	249	233	2.83
16	A	173	162	0.90
17	A	3200	2990	0.00
18	A	1541	1440	0.00
19	A	1088	1017	0.00
20	A	747	698	0.00
21	A	221	206	0.00
22	A	3235	3022	71.93
23	A	3218	3007	8.56
24	A	3119	2914	53.53
25	A	1561	1459	12.70
26	A	1468	1372	3.18
27	A	1366	1276	4.65
28	A	1123	1049	1.00
29	A	1016	949	10.38
30	A	286	267	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.000
C2	0.000	-0.669	0.000
C3	-1.231	1.519	0.000
C4	1.231	-1.519	0.000
H5	0.952	1.190	0.000
H6	-0.952	-1.190	0.000
H7	-2.129	0.904	0.000
H8	2.129	-0.904	0.000
H9	-1.264	2.166	0.876
H10	-1.264	2.166	-0.876
H11	1.264	-2.166	0.876
H12	1.264	-2.166	-0.876

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3378	1.4962	2.5104	1.0855	2.0884	2.1419	2.6469	2.1466	2.1466	3.2254	3.2254
C2	1.3378		2.5104	1.4962	2.0884	1.0855	2.6469	2.1419	3.2254	3.2254	2.1466	2.1466
C3	1.4962	2.5104		3.9104	2.2085	2.7228	1.0881	4.1426	1.0900	1.0900	4.5359	4.5359
C4	2.5104	1.4962	3.9104		2.7228	2.2085	4.1426	1.0881	4.5359	4.5359	1.0900	1.0900
H5	1.0855	2.0884	2.2085	2.7228		3.0479	3.0947	2.4015	2.5760	2.5760	3.4822	3.4822
H6	2.0884	1.0855	2.7228	2.2085	3.0479		2.4015	3.0947	3.4822	3.4822	2.5760	2.5760
H7	2.1419	2.6469	1.0881	4.1426	3.0947	2.4015		4.6258	1.7632	1.7632	4.6591	4.6591
H8	2.6469	2.1419	4.1426	1.0881	2.4015	3.0947	4.6258		4.6591	4.6591	1.7632	1.7632
H9	2.1466	3.2254	1.0900	4.5359	2.5760	3.4822	1.7632	4.6591		1.7528	5.0161	5.3135
H10	2.1466	3.2254	1.0900	4.5359	2.5760	3.4822	1.7632	4.6591	1.7528		5.3135	5.0161
H11	3.2254	2.1466	4.5359	1.0900	3.4822	2.5760	4.6591	1.7632	5.0161	5.3135		1.7528
H12	3.2254	2.1466	4.5359	1.0900	3.4822	2.5760	4.6591	1.7632	5.3135	5.0161	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.611	C1	C2	H6	118.670
C1	C3	H7	110.974	C1	C3	H9	111.236
C1	C3	H10	111.236	C2	C1	C3	124.611
C2	C1	H5	118.670	C2	C4	H8	110.974
C2	C4	H11	111.236	C2	C4	H12	111.236
C3	C1	H5	116.719	C4	C2	H6	116.719
H7	C3	H9	108.096	H7	C3	H10	108.096
H8	C4	H11	108.096	H8	C4	H12	108.096
H9	C3	H10	107.035	H11	C4	H12	107.035

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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