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	hartrees
Energy at 0K	-156.164848
Energy at 298.15K	-156.172842
Nuclear repulsion energy	116.462310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	2963	0.00
2	A	3223	2928	0.00
3	A	3148	2861	0.00
4	A	1877	1705	0.00
5	A	1607	1460	0.00
6	A	1540	1399	0.00
7	A	1439	1308	0.00
8	A	1256	1141	0.00
9	A	929	844	0.00
10	A	532	483	0.00
11	A	3188	2897	65.46
12	A	1597	1451	12.31
13	A	1165	1059	9.55
14	A	1094	994	39.70
15	A	265	241	3.95
16	A	189	172	1.07
17	A	3189	2897	0.00
18	A	1598	1452	0.00
19	A	1179	1071	0.00
20	A	839	762	0.00
21	A	246	224	0.00
22	A	3268	2970	71.44
23	A	3220	2926	37.66
24	A	3148	2860	88.54
25	A	1614	1466	18.29
26	A	1537	1397	4.07
27	A	1439	1308	4.28
28	A	1134	1030	1.15
29	A	1058	962	12.22
30	A	302	275	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.574	0.000
C2	-0.322	-0.574	0.000
C3	-0.322	1.929	0.000
C4	0.322	-1.929	0.000
H5	1.401	0.564	0.000
H6	-1.401	-0.564	0.000
H7	-1.402	1.853	0.000
H8	1.402	-1.853	0.000
H9	-0.023	2.500	0.873
H10	-0.023	2.500	-0.873
H11	0.023	-2.500	0.873
H12	0.023	-2.500	-0.873

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3163	1.5005	2.5025	1.0788	2.0650	2.1473	2.6562	2.1432	2.1432	3.2097	3.2097
C2	1.3163		2.5025	1.5005	2.0650	1.0788	2.6562	2.1473	3.2097	3.2097	2.1432	2.1432
C3	1.5005	2.5025		3.9110	2.1985	2.7159	1.0827	4.1564	1.0854	1.0854	4.5276	4.5276
C4	2.5025	1.5005	3.9110		2.7159	2.1985	4.1564	1.0827	4.5276	4.5276	1.0854	1.0854
H5	1.0788	2.0650	2.1985	2.7159		3.0206	3.0857	2.4167	2.5577	2.5577	3.4713	3.4713
H6	2.0650	1.0788	2.7159	2.1985	3.0206		2.4167	3.0857	3.4713	3.4713	2.5577	2.5577
H7	2.1473	2.6562	1.0827	4.1564	3.0857	2.4167		4.6477	1.7558	1.7558	4.6634	4.6634
H8	2.6562	2.1473	4.1564	1.0827	2.4167	3.0857	4.6477		4.6634	4.6634	1.7558	1.7558
H9	2.1432	3.2097	1.0854	4.5276	2.5577	3.4713	1.7558	4.6634		1.7456	5.0012	5.2971
H10	2.1432	3.2097	1.0854	4.5276	2.5577	3.4713	1.7558	4.6634	1.7456		5.2971	5.0012
H11	3.2097	2.1432	4.5276	1.0854	3.4713	2.5577	4.6634	1.7558	5.0012	5.2971		1.7456
H12	3.2097	2.1432	4.5276	1.0854	3.4713	2.5577	4.6634	1.7558	5.2971	5.0012	1.7456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.226	C1	C2	H6	118.794
C1	C3	H7	111.434	C1	C3	H9	110.933
C1	C3	H10	110.933	C2	C1	C3	125.226
C2	C1	H5	118.794	C2	C4	H8	111.434
C2	C4	H11	110.933	C2	C4	H12	110.933
C3	C1	H5	115.980	C4	C2	H6	115.980
H7	C3	H9	108.162	H7	C3	H10	108.162
H8	C4	H11	108.162	H8	C4	H12	108.162
H9	C3	H10	107.050	H11	C4	H12	107.050

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

using model chemistry: HF/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	-0.090
2	C	-0.090
3	C	-0.370
4	C	-0.370
5	H	0.093
6	H	0.093
7	H	0.112
8	H	0.112
9	H	0.128
10	H	0.128
11	H	0.128
12	H	0.128

	x	y	z
x	6.649	0.383	0.000
y	0.383	9.700	0.000
z	0.000	0.000	5.855

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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