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	hartrees
Energy at 0K	-157.034423
Energy at 298.15K	-157.042170
Nuclear repulsion energy	115.869245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3007	0.00
2	A	3145	2990	0.00
3	A	3053	2903	0.00
4	A	1786	1699	0.00
5	A	1517	1442	0.00
6	A	1440	1369	0.00
7	A	1344	1278	0.00
8	A	1186	1128	0.00
9	A	893	849	0.00
10	A	505	480	0.00
11	A	3110	2957	48.09
12	A	1506	1432	14.35
13	A	1080	1027	0.09
14	A	1014	964	30.58
15	A	246	234	3.51
16	A	183	174	1.26
17	A	3110	2958	0.00
18	A	1507	1433	0.00
19	A	1076	1023	0.00
20	A	758	721	0.00
21	A	238	226	0.00
22	A	3167	3012	78.82
23	A	3144	2990	13.05
24	A	3052	2903	68.00
25	A	1525	1450	17.15
26	A	1439	1369	3.64
27	A	1340	1275	4.73
28	A	1109	1055	2.06
29	A	996	947	16.43
30	A	282	269	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.582	0.000
C2	-0.325	-0.582	0.000
C3	-0.325	1.929	0.000
C4	0.325	-1.929	0.000
H5	1.416	0.571	0.000
H6	-1.416	-0.571	0.000
H7	-1.416	1.847	0.000
H8	1.416	-1.847	0.000
H9	-0.029	2.516	0.880
H10	-0.029	2.516	-0.880
H11	0.029	-2.516	0.880
H12	0.029	-2.516	-0.880

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3334	1.4950	2.5115	1.0920	2.0886	2.1517	2.6635	2.1534	2.1534	3.2341	3.2341
C2	1.3334		2.5115	1.4950	2.0886	1.0920	2.6635	2.1517	3.2341	3.2341	2.1534	2.1534
C3	1.4950	2.5115		3.9125	2.2077	2.7286	1.0949	4.1581	1.0979	1.0979	4.5448	4.5448
C4	2.5115	1.4950	3.9125		2.7286	2.2077	4.1581	1.0949	4.5448	4.5448	1.0979	1.0979
H5	1.0920	2.0886	2.2077	2.7286		3.0547	3.1067	2.4185	2.5777	2.5777	3.4969	3.4969
H6	2.0886	1.0920	2.7286	2.2077	3.0547		2.4185	3.1067	3.4969	3.4969	2.5777	2.5777
H7	2.1517	2.6635	1.0949	4.1581	3.1067	2.4185		4.6551	1.7735	1.7735	4.6794	4.6794
H8	2.6635	2.1517	4.1581	1.0949	2.4185	3.1067	4.6551		4.6794	4.6794	1.7735	1.7735
H9	2.1534	3.2341	1.0979	4.5448	2.5777	3.4969	1.7735	4.6794		1.7597	5.0317	5.3305
H10	2.1534	3.2341	1.0979	4.5448	2.5777	3.4969	1.7735	4.6794	1.7597		5.3305	5.0317
H11	3.2341	2.1534	4.5448	1.0979	3.4969	2.5777	4.6794	1.7735	5.0317	5.3305		1.7597
H12	3.2341	2.1534	4.5448	1.0979	3.4969	2.5777	4.6794	1.7735	5.3305	5.0317	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.142	C1	C2	H6	118.555
C1	C3	H7	111.428	C1	C3	H9	111.381
C1	C3	H10	111.381	C2	C1	C3	125.142
C2	C1	H5	118.555	C2	C4	H8	111.428
C2	C4	H11	111.381	C2	C4	H12	111.381
C3	C1	H5	116.303	C4	C2	H6	116.303
H7	C3	H9	107.950	H7	C3	H10	107.950
H8	C4	H11	107.950	H8	C4	H12	107.950
H9	C3	H10	106.533	H11	C4	H12	106.533

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

using model chemistry: HSEh1PBE/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	-0.119
2	C	-0.119
3	C	-0.560
4	C	-0.560
5	H	0.147
6	H	0.147
7	H	0.176
8	H	0.176
9	H	0.178
10	H	0.178
11	H	0.178
12	H	0.178

	x	y	z
x	5.980	0.415	0.000
y	0.415	9.009	0.000
z	0.000	0.000	4.331

<r²>	111.321
(<r²>)^1/2	10.551

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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