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	hartrees
Energy at 0K	-156.718661
Energy at 298.15K	-156.726384
HF Energy	-156.126355
Nuclear repulsion energy	115.918809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3023	0.00
2	A	3207	3012	0.00
3	A	3109	2920	0.00
4	A	1757	1650	0.00
5	A	1541	1447	0.00
6	A	1459	1370	0.00
7	A	1355	1272	0.00
8	A	1200	1127	0.00
9	A	900	845	0.00
10	A	508	477	0.00
11	A	3189	2996	35.89
12	A	1521	1429	13.47
13	A	1095	1029	3.28
14	A	1001	940	45.94
15	A	246	231	4.44
16	A	166	156	1.44
17	A	3190	2996	0.00
18	A	1522	1429	0.00
19	A	1077	1012	0.00
20	A	739	694	0.00
21	A	216	203	0.00
22	A	3224	3028	75.82
23	A	3207	3012	7.77
24	A	3109	2920	61.75
25	A	1547	1453	19.65
26	A	1459	1370	4.90
27	A	1359	1276	3.87
28	A	1117	1049	2.18
29	A	1011	950	10.32
30	A	285	268	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.000
C2	0.000	-0.671	0.000
C3	-1.232	1.522	0.000
C4	1.232	-1.522	0.000
H5	0.954	1.190	0.000
H6	-0.954	-1.190	0.000
H7	-2.130	0.906	0.000
H8	2.130	-0.906	0.000
H9	-1.263	2.169	0.877
H10	-1.263	2.169	-0.877
H11	1.263	-2.169	0.877
H12	1.263	-2.169	-0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3412	1.4976	2.5152	1.0865	2.0911	2.1431	2.6503	2.1468	2.1468	3.2291	3.2291
C2	1.3412		2.5152	1.4976	2.0911	1.0865	2.6503	2.1431	3.2291	3.2291	2.1468	2.1468
C3	1.4976	2.5152		3.9165	2.2113	2.7265	1.0889	4.1474	1.0904	1.0904	4.5405	4.5405
C4	2.5152	1.4976	3.9165		2.7265	2.2113	4.1474	1.0889	4.5405	4.5405	1.0904	1.0904
H5	1.0865	2.0911	2.2113	2.7265		3.0509	3.0973	2.4038	2.5773	2.5773	3.4854	3.4854
H6	2.0911	1.0865	2.7265	2.2113	3.0509		2.4038	3.0973	3.4854	3.4854	2.5773	2.5773
H7	2.1431	2.6503	1.0889	4.1474	3.0973	2.4038		4.6298	1.7652	1.7652	4.6624	4.6624
H8	2.6503	2.1431	4.1474	1.0889	2.4038	3.0973	4.6298		4.6624	4.6624	1.7652	1.7652
H9	2.1468	3.2291	1.0904	4.5405	2.5773	3.4854	1.7652	4.6624		1.7549	5.0192	5.3172
H10	2.1468	3.2291	1.0904	4.5405	2.5773	3.4854	1.7652	4.6624	1.7549		5.3172	5.0192
H11	3.2291	2.1468	4.5405	1.0904	3.4854	2.5773	4.6624	1.7652	5.0192	5.3172		1.7549
H12	3.2291	2.1468	4.5405	1.0904	3.4854	2.5773	4.6624	1.7652	5.3172	5.0192	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.652	C1	C2	H6	118.565
C1	C3	H7	110.914	C1	C3	H9	111.122
C1	C3	H10	111.122	C2	C1	C3	124.652
C2	C1	H5	118.565	C2	C4	H8	110.914
C2	C4	H11	111.122	C2	C4	H12	111.122
C3	C1	H5	116.783	C4	C2	H6	116.783
H7	C3	H9	108.189	H7	C3	H10	108.189
H8	C4	H11	108.189	H8	C4	H12	108.189
H9	C3	H10	107.155	H11	C4	H12	107.155

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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