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	hartrees
Energy at 0K	-156.338614
Energy at 298.15K	-156.346287
Nuclear repulsion energy	116.092255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3074	3017	0.00
2	A	3054	2997	0.00
3	A	2968	2913	0.00
4	A	1749	1716	0.00
5	A	1430	1403	0.00
6	A	1357	1332	0.00
7	A	1273	1249	0.00
8	A	1144	1123	0.00
9	A	869	853	0.00
10	A	495	486	0.00
11	A	3032	2976	26.19
12	A	1418	1392	17.78
13	A	1020	1001	0.44
14	A	964	946	29.04
15	A	244	240	3.52
16	A	190	186	2.36
17	A	3033	2976	0.00
18	A	1419	1392	0.00
19	A	1019	1000	0.00
20	A	728	714	0.00
21	A	247	242	0.00
22	A	3075	3017	56.12
23	A	3059	3002	10.66
24	A	2968	2912	48.32
25	A	1440	1413	21.69
26	A	1360	1335	8.72
27	A	1267	1243	3.86
28	A	1106	1085	3.80
29	A	947	929	22.39
30	A	274	269	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.584	0.000
C2	-0.324	-0.584	0.000
C3	-0.324	1.915	0.000
C4	0.324	-1.915	0.000
H5	1.425	0.564	0.000
H6	-1.425	-0.564	0.000
H7	-1.423	1.826	0.000
H8	1.423	-1.826	0.000
H9	-0.032	2.513	0.883
H10	-0.032	2.513	-0.883
H11	0.032	-2.513	0.883
H12	0.032	-2.513	-0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3347	1.4807	2.4987	1.1017	2.0918	2.1436	2.6483	2.1514	2.1514	3.2329	3.2329
C2	1.3347		2.4987	1.4807	2.0918	1.1017	2.6483	2.1436	3.2329	3.2329	2.1514	2.1514
C3	1.4807	2.4987		3.8846	2.2104	2.7125	1.1029	4.1288	1.1055	1.1055	4.5291	4.5291
C4	2.4987	1.4807	3.8846		2.7125	2.2104	4.1288	1.1029	4.5291	4.5291	1.1055	1.1055
H5	1.1017	2.0918	2.2104	2.7125		3.0654	3.1155	2.3896	2.5892	2.5892	3.4906	3.4906
H6	2.0918	1.1017	2.7125	2.2104	3.0654		2.3896	3.1155	3.4906	3.4906	2.5892	2.5892
H7	2.1436	2.6483	1.1029	4.1288	3.1155	2.3896		4.6298	1.7848	1.7848	4.6606	4.6606
H8	2.6483	2.1436	4.1288	1.1029	2.3896	3.1155	4.6298		4.6606	4.6606	1.7848	1.7848
H9	2.1514	3.2329	1.1055	4.5291	2.5892	3.4906	1.7848	4.6606		1.7666	5.0258	5.3272
H10	2.1514	3.2329	1.1055	4.5291	2.5892	3.4906	1.7848	4.6606	1.7666		5.3272	5.0258
H11	3.2329	2.1514	4.5291	1.1055	3.4906	2.5892	4.6606	1.7848	5.0258	5.3272		1.7666
H12	3.2329	2.1514	4.5291	1.1055	3.4906	2.5892	4.6606	1.7848	5.3272	5.0258	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.039	C1	C2	H6	117.993
C1	C3	H7	111.292	C1	C3	H9	111.766
C1	C3	H10	111.766	C2	C1	C3	125.039
C2	C1	H5	117.993	C2	C4	H8	111.292
C2	C4	H11	111.766	C2	C4	H12	111.766
C3	C1	H5	116.968	C4	C2	H6	116.968
H7	C3	H9	107.843	H7	C3	H10	107.843
H8	C4	H11	107.843	H8	C4	H12	107.843
H9	C3	H10	106.070	H11	C4	H12	106.070

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.067
2	C	-0.067
3	C	-0.474
4	C	-0.474
5	H	0.098
6	H	0.098
7	H	0.141
8	H	0.141
9	H	0.151
10	H	0.151
11	H	0.151
12	H	0.151

	x	y	z
x	6.265	0.312	0.000
y	0.312	9.491	0.000
z	0.000	0.000	4.505

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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