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	hartrees
Energy at 0K	-156.734020
Energy at 298.15K	-156.741705
HF Energy	-156.137297
Nuclear repulsion energy	115.356354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3129	2995	0.00
2	A	3111	2979	0.00
3	A	3029	2900	0.00
4	A	1761	1686	0.00
5	A	1524	1459	0.00
6	A	1452	1390	0.00
7	A	1347	1290	0.00
8	A	1186	1136	0.00
9	A	889	852	0.00
10	A	505	484	0.00
11	A	3087	2955	55.89
12	A	1511	1446	15.72
13	A	1086	1040	1.09
14	A	985	943	39.46
15	A	244	234	3.96
16	A	162	155	0.64
17	A	3087	2956	0.00
18	A	1511	1447	0.00
19	A	1077	1032	0.00
20	A	741	709	0.00
21	A	207	198	0.00
22	A	3135	3002	79.87
23	A	3109	2977	20.10
24	A	3028	2899	64.99
25	A	1530	1465	19.80
26	A	1451	1390	6.49
27	A	1353	1296	2.01
28	A	1101	1054	1.46
29	A	1004	961	10.30
30	A	285	273	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.000
C2	0.000	-0.670	0.000
C3	-1.237	1.531	0.000
C4	1.237	-1.531	0.000
H5	0.959	1.197	0.000
H6	-0.959	-1.197	0.000
H7	-2.146	0.918	0.000
H8	2.146	-0.918	0.000
H9	-1.265	2.183	0.883
H10	-1.265	2.183	-0.883
H11	1.265	-2.183	0.883
H12	1.265	-2.183	-0.883

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3400	1.5067	2.5243	1.0938	2.0986	2.1599	2.6695	2.1607	2.1607	3.2433	3.2433
C2	1.3400		2.5243	1.5067	2.0986	1.0938	2.6695	2.1599	3.2433	3.2433	2.1607	2.1607
C3	1.5067	2.5243		3.9356	2.2205	2.7416	1.0959	4.1758	1.0980	1.0980	4.5638	4.5638
C4	2.5243	1.5067	3.9356		2.7416	2.2205	4.1758	1.0959	4.5638	4.5638	1.0980	1.0980
H5	1.0938	2.0986	2.2205	2.7416		3.0668	3.1166	2.4255	2.5876	2.5876	3.5066	3.5066
H6	2.0986	1.0938	2.7416	2.2205	3.0668		2.4255	3.1166	3.5066	3.5066	2.5876	2.5876
H7	2.1599	2.6695	1.0959	4.1758	3.1166	2.4255		4.6676	1.7760	1.7760	4.6935	4.6935
H8	2.6695	2.1599	4.1758	1.0959	2.4255	3.1166	4.6676		4.6935	4.6935	1.7760	1.7760
H9	2.1607	3.2433	1.0980	4.5638	2.5876	3.5066	1.7760	4.6935		1.7655	5.0460	5.3459
H10	2.1607	3.2433	1.0980	4.5638	2.5876	3.5066	1.7760	4.6935	1.7655		5.3459	5.0460
H11	3.2433	2.1607	4.5638	1.0980	3.5066	2.5876	4.6935	1.7760	5.0460	5.3459		1.7655
H12	3.2433	2.1607	4.5638	1.0980	3.5066	2.5876	4.6935	1.7760	5.3459	5.0460	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.834	C1	C2	H6	118.795
C1	C3	H7	111.195	C1	C3	H9	111.129
C1	C3	H10	111.129	C2	C1	C3	124.834
C2	C1	H5	118.795	C2	C4	H8	111.195
C2	C4	H11	111.129	C2	C4	H12	111.129
C3	C1	H5	116.371	C4	C2	H6	116.371
H7	C3	H9	108.099	H7	C3	H10	108.099
H8	C4	H11	108.099	H8	C4	H12	108.099
H9	C3	H10	107.020	H11	C4	H12	107.020

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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