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	hartrees
Energy at 0K	-156.761216
Energy at 298.15K	-156.768952
HF Energy	-156.126600
Nuclear repulsion energy	115.901884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3227	3006	0.00
2	A_g	3209	2990	0.00
3	A_g	3118	2905	0.00
4	A_g	1797	1674	0.00
5	A_g	1549	1443	0.00
6	A_g	1473	1372	0.00
7	A_g	1369	1275	0.00
8	A_g	1206	1123	0.00
9	A_g	904	842	0.00
10	A_g	510	475	0.00
11	A_u	3187	2969	44.26
12	A_u	1529	1425	12.22
13	A_u	1102	1027	4.57
14	A_u	1007	939	43.70
15	A_u	247	230	4.09
16	A_u	165	153	1.18
17	B_g	3187	2969	0.00
18	B_g	1530	1425	0.00
19	B_g	1089	1014	0.00
20	B_g	749	698	0.00
21	B_g	214	199	0.00
22	B_u	3233	3012	74.79
23	B_u	3208	2989	19.92
24	B_u	3118	2905	64.47
25	B_u	1555	1448	17.71
26	B_u	1473	1372	4.19
27	B_u	1373	1279	3.89
28	B_u	1117	1041	2.09
29	B_u	1018	948	8.79
30	B_u	286	267	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.583	0.000
C2	-0.327	-0.583	0.000
C3	-0.327	1.935	0.000
C4	0.327	-1.935	0.000
H5	1.413	0.579	0.000
H6	-1.413	-0.579	0.000
H7	-1.412	1.843	0.000
H8	1.412	-1.843	0.000
H9	-0.034	2.511	0.877
H10	-0.034	2.511	-0.877
H11	0.034	-2.511	0.877
H12	0.034	-2.511	-0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3376	1.5017	2.5178	1.0857	2.0926	2.1476	2.6575	2.1485	2.1485	3.2293	3.2293
C2	1.3376		2.5178	1.5017	2.0926	1.0857	2.6575	2.1476	3.2293	3.2293	2.1485	2.1485
C3	1.5017	2.5178		3.9242	2.2063	2.7377	1.0884	4.1587	1.0900	1.0900	4.5455	4.5455
C4	2.5178	1.5017	3.9242		2.7377	2.2063	4.1587	1.0884	4.5455	4.5455	1.0900	1.0900
H5	1.0857	2.0926	2.2063	2.7377		3.0539	3.0950	2.4216	2.5684	2.5684	3.4952	3.4952
H6	2.0926	1.0857	2.7377	2.2063	3.0539		2.4216	3.0950	3.4952	3.4952	2.5684	2.5684
H7	2.1476	2.6575	1.0884	4.1587	3.0950	2.4216		4.6433	1.7650	1.7650	4.6707	4.6707
H8	2.6575	2.1476	4.1587	1.0884	2.4216	3.0950	4.6433		4.6707	4.6707	1.7650	1.7650
H9	2.1485	3.2293	1.0900	4.5455	2.5684	3.4952	1.7650	4.6707		1.7550	5.0220	5.3198
H10	2.1485	3.2293	1.0900	4.5455	2.5684	3.4952	1.7650	4.6707	1.7550		5.3198	5.0220
H11	3.2293	2.1485	4.5455	1.0900	3.4952	2.5684	4.6707	1.7650	5.0220	5.3198		1.7550
H12	3.2293	2.1485	4.5455	1.0900	3.4952	2.5684	4.6707	1.7650	5.3198	5.0220	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.843	C1	C2	H6	119.066
C1	C3	H7	111.019	C1	C3	H9	110.995
C1	C3	H10	110.995	C2	C1	C3	124.843
C2	C1	H5	119.066	C2	C4	H8	111.019
C2	C4	H11	110.995	C2	C4	H12	110.995
C3	C1	H5	116.091	C4	C2	H6	116.091
H7	C3	H9	108.231	H7	C3	H10	108.231
H8	C4	H11	108.231	H8	C4	H12	108.231
H9	C3	H10	107.226	H11	C4	H12	107.226

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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