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	hartrees
Energy at 0K	-156.915320
Energy at 298.15K	-156.923130
HF Energy	-156.167984
Nuclear repulsion energy	116.574321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3030	0.00
2	A	3164	3004	0.00
3	A	3081	2925	0.00
4	A	1753	1664	0.00
5	A	1516	1439	0.00
6	A	1423	1351	0.00
7	A	1339	1271	0.00
8	A	1186	1126	0.00
9	A	889	844	0.00
10	A	503	478	0.00
11	A	3141	2982	30.11
12	A	1506	1430	12.86
13	A	1082	1027	2.62
14	A	1027	975	33.90
15	A	253	240	3.22
16	A	184	175	1.17
17	A	3142	2983	0.00
18	A	1507	1430	0.00
19	A	1084	1029	0.00
20	A	776	737	0.00
21	A	238	226	0.00
22	A	3194	3032	48.03
23	A	3162	3002	17.24
24	A	3081	2925	50.52
25	A	1523	1446	18.82
26	A	1423	1351	5.20
27	A	1337	1270	4.06
28	A	1110	1054	3.11
29	A	994	944	11.82
30	A	282	268	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.665	0.000
C2	0.000	-0.665	0.000
C3	-1.223	1.514	0.000
C4	1.223	-1.514	0.000
H5	0.951	1.177	0.000
H6	-0.951	-1.177	0.000
H7	-2.120	0.903	0.000
H8	2.120	-0.903	0.000
H9	-1.252	2.160	0.874
H10	-1.252	2.160	-0.874
H11	1.252	-2.160	0.874
H12	1.252	-2.160	-0.874

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3300	1.4892	2.4991	1.0804	2.0731	2.1335	2.6370	2.1374	2.1374	3.2117	3.2117
C2	1.3300		2.4991	1.4892	2.0731	1.0804	2.6370	2.1335	3.2117	3.2117	2.1374	2.1374
C3	1.4892	2.4991		3.8932	2.2007	2.7048	1.0854	4.1257	1.0873	1.0873	4.5161	4.5161
C4	2.4991	1.4892	3.8932		2.7048	2.2007	4.1257	1.0854	4.5161	4.5161	1.0873	1.0873
H5	1.0804	2.0731	2.2007	2.7048		3.0267	3.0838	2.3857	2.5666	2.5666	3.4629	3.4629
H6	2.0731	1.0804	2.7048	2.2007	3.0267		2.3857	3.0838	3.4629	3.4629	2.5666	2.5666
H7	2.1335	2.6370	1.0854	4.1257	3.0838	2.3857		4.6089	1.7601	1.7601	4.6392	4.6392
H8	2.6370	2.1335	4.1257	1.0854	2.3857	3.0838	4.6089		4.6392	4.6392	1.7601	1.7601
H9	2.1374	3.2117	1.0873	4.5161	2.5666	3.4629	1.7601	4.6392		1.7478	4.9943	5.2913
H10	2.1374	3.2117	1.0873	4.5161	2.5666	3.4629	1.7601	4.6392	1.7478		5.2913	4.9943
H11	3.2117	2.1374	4.5161	1.0873	3.4629	2.5666	4.6392	1.7601	4.9943	5.2913		1.7478
H12	3.2117	2.1374	4.5161	1.0873	3.4629	2.5666	4.6392	1.7601	5.2913	4.9943	1.7478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.769	C1	C2	H6	118.280
C1	C3	H7	110.957	C1	C3	H9	111.153
C1	C3	H10	111.153	C2	C1	C3	124.769
C2	C1	H5	118.280	C2	C4	H8	110.957
C2	C4	H11	111.153	C2	C4	H12	111.153
C3	C1	H5	116.951	C4	C2	H6	116.951
H7	C3	H9	108.220	H7	C3	H10	108.220
H8	C4	H11	108.220	H8	C4	H12	108.220
H9	C3	H10	106.980	H11	C4	H12	106.980

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3CHCHCH3 (2-Butene, (E)-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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