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	hartrees
Energy at 0K	-26.884999
Energy at 298.15K	-26.892625
Nuclear repulsion energy	64.486936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3080	3006	0.00
2	A	3062	2988	0.00
3	A	2957	2886	0.00
4	A	1671	1631	0.00
5	A	1530	1493	0.00
6	A	1458	1423	0.00
7	A	1338	1306	0.00
8	A	1182	1154	0.00
9	A	872	851	0.00
10	A	491	480	0.00
11	A	3048	2975	80.83
12	A	1496	1460	15.23
13	A	1093	1067	2.24
14	A	960	937	46.17
15	A	240	234	4.77
16	A	154	151	0.91
17	A	3048	2975	0.00
18	A	1497	1461	0.00
19	A	1067	1042	0.00
20	A	703	687	0.00
21	A	194	190	0.00
22	A	3086	3012	116.98
23	A	3059	2986	27.00
24	A	2956	2885	91.29
25	A	1535	1498	16.52
26	A	1458	1423	8.18
27	A	1344	1311	2.71
28	A	1077	1051	0.71
29	A	1003	979	10.17
30	A	276	269	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.686	0.000
C2	0.000	-0.686	0.000
C3	-1.267	1.552	0.000
C4	1.267	-1.552	0.000
H5	0.962	1.219	0.000
H6	-0.962	-1.219	0.000
H7	-2.169	0.915	0.000
H8	2.169	-0.915	0.000
H9	-1.305	2.204	0.891
H10	-1.305	2.204	-0.891
H11	1.305	-2.204	0.891
H12	1.305	-2.204	-0.891

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3719	1.5345	2.5714	1.0998	2.1339	2.1808	2.6958	2.1909	2.1909	3.2934	3.2934
C2	1.3719		2.5714	1.5345	2.1339	1.0998	2.6958	2.1808	3.2934	3.2934	2.1909	2.1909
C3	1.5345	2.5714		4.0064	2.2537	2.7873	1.1036	4.2296	1.1047	1.1047	4.6379	4.6379
C4	2.5714	1.5345	4.0064		2.7873	2.2537	4.2296	1.1036	4.6379	4.6379	1.1047	1.1047
H5	1.0998	2.1339	2.2537	2.7873		3.1055	3.1454	2.4517	2.6272	2.6272	3.5532	3.5532
H6	2.1339	1.0998	2.7873	2.2537	3.1055		2.4517	3.1454	3.5532	3.5532	2.6272	2.6272
H7	2.1808	2.6958	1.1036	4.2296	3.1454	2.4517		4.7079	1.7888	1.7888	4.7526	4.7526
H8	2.6958	2.1808	4.2296	1.1036	2.4517	3.1454	4.7079		4.7526	4.7526	1.7888	1.7888
H9	2.1909	3.2934	1.1047	4.6379	2.6272	3.5532	1.7888	4.7526		1.7820	5.1220	5.4231
H10	2.1909	3.2934	1.1047	4.6379	2.6272	3.5532	1.7888	4.7526	1.7820		5.4231	5.1220
H11	3.2934	2.1909	4.6379	1.1047	3.5532	2.6272	4.7526	1.7888	5.1220	5.4231		1.7820
H12	3.2934	2.1909	4.6379	1.1047	3.5532	2.6272	4.7526	1.7888	5.4231	5.1220	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.347	C1	C2	H6	118.983
C1	C3	H7	110.446	C1	C3	H9	111.178
C1	C3	H10	111.178	C2	C1	C3	124.347
C2	C1	H5	118.983	C2	C4	H8	110.446
C2	C4	H11	111.178	C2	C4	H12	111.178
C3	C1	H5	116.670	C4	C2	H6	116.670
H7	C3	H9	108.196	H7	C3	H10	108.196
H8	C4	H11	108.196	H8	C4	H12	108.196
H9	C3	H10	107.519	H11	C4	H12	107.519

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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