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	hartrees
Energy at 0K	-156.393267
Energy at 298.15K	-156.400957
Nuclear repulsion energy	116.558614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3048	3015	0.00
2	A	3028	2995	0.00
3	A	2950	2918	0.00
4	A	1728	1710	0.00
5	A	1409	1393	0.00
6	A	1340	1325	0.00
7	A	1270	1256	0.00
8	A	1140	1128	0.00
9	A	863	854	0.00
10	A	497	491	0.00
11	A	3007	2974	18.81
12	A	1395	1380	18.83
13	A	1014	1003	0.02
14	A	956	945	37.57
15	A	244	242	4.15
16	A	187	185	1.95
17	A	3007	2975	0.00
18	A	1397	1381	0.00
19	A	1022	1011	0.00
20	A	734	726	0.00
21	A	244	242	0.00
22	A	3050	3017	53.20
23	A	3034	3001	6.46
24	A	2950	2918	46.25
25	A	1419	1403	26.78
26	A	1342	1328	13.99
27	A	1262	1249	2.89
28	A	1098	1086	6.68
29	A	942	932	20.79
30	A	274	271	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.580	0.000
C2	-0.322	-0.580	0.000
C3	-0.322	1.907	0.000
C4	0.322	-1.907	0.000
H5	1.421	0.559	0.000
H6	-1.421	-0.559	0.000
H7	-1.418	1.816	0.000
H8	1.418	-1.816	0.000
H9	-0.030	2.502	0.881
H10	-0.030	2.502	-0.881
H11	0.030	-2.502	0.881
H12	0.030	-2.502	-0.881

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3269	1.4756	2.4872	1.0987	2.0821	2.1351	2.6350	2.1431	2.1431	3.2183	3.2183
C2	1.3269		2.4872	1.4756	2.0821	1.0987	2.6350	2.1351	3.2183	3.2183	2.1431	2.1431
C3	1.4756	2.4872		3.8686	2.2039	2.6995	1.0997	4.1104	1.1022	1.1022	4.5098	4.5098
C4	2.4872	1.4756	3.8686		2.6995	2.2039	4.1104	1.0997	4.5098	4.5098	1.1022	1.1022
H5	1.0987	2.0821	2.2039	2.6995		3.0534	3.1052	2.3751	2.5797	2.5797	3.4752	3.4752
H6	2.0821	1.0987	2.6995	2.2039	3.0534		2.3751	3.1052	3.4752	3.4752	2.5797	2.5797
H7	2.1351	2.6350	1.0997	4.1104	3.1052	2.3751		4.6091	1.7815	1.7815	4.6388	4.6388
H8	2.6350	2.1351	4.1104	1.0997	2.3751	3.1052	4.6091		4.6388	4.6388	1.7815	1.7815
H9	2.1431	3.2183	1.1022	4.5098	2.5797	3.4752	1.7815	4.6388		1.7614	5.0038	5.3048
H10	2.1431	3.2183	1.1022	4.5098	2.5797	3.4752	1.7815	4.6388	1.7614		5.3048	5.0038
H11	3.2183	2.1431	4.5098	1.1022	3.4752	2.5797	4.6388	1.7815	5.0038	5.3048		1.7614
H12	3.2183	2.1431	4.5098	1.1022	3.4752	2.5797	4.6388	1.7815	5.3048	5.0038	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.025	C1	C2	H6	117.961
C1	C3	H7	111.168	C1	C3	H9	111.663
C1	C3	H10	111.663	C2	C1	C3	125.025
C2	C1	H5	117.961	C2	C4	H8	111.168
C2	C4	H11	111.663	C2	C4	H12	111.663
C3	C1	H5	117.014	C4	C2	H6	117.014
H7	C3	H9	108.012	H7	C3	H10	108.012
H8	C4	H11	108.012	H8	C4	H12	108.012
H9	C3	H10	106.087	H11	C4	H12	106.087

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

using model chemistry: LSDA/cc-pVTZ

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	-0.125
2	C	-0.125
3	C	-0.321
4	C	-0.321
5	H	0.109
6	H	0.109
7	H	0.104
8	H	0.104
9	H	0.117
10	H	0.117
11	H	0.117
12	H	0.117

	x	y	z
x	7.116	0.191	0.000
y	0.191	10.594	0.000
z	0.000	0.000	5.589

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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