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	hartrees
Energy at 0K	-156.683932
Energy at 298.15K	-156.691681
HF Energy	-156.109619
Nuclear repulsion energy	115.761334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3190	2993	0.00
2	A_g	3176	2980	0.00
3	A_g	3092	2901	0.00
4	A_g	1809	1698	0.00
5	A_g	1555	1459	0.00
6	A_g	1479	1387	0.00
7	A_g	1373	1288	0.00
8	A_g	1208	1134	0.00
9	A_g	909	853	0.00
10	A_g	513	481	0.00
11	A_u	3155	2960	47.55
12	A_u	1541	1446	12.56
13	A_u	1109	1041	0.64
14	A_u	1015	953	31.21
15	A_u	249	234	3.16
16	A_u	170	160	0.79
17	B_g	3155	2960	0.00
18	B_g	1542	1447	0.00
19	B_g	1100	1033	0.00
20	B_g	758	711	0.00
21	B_g	218	205	0.00
22	B_u	3195	2998	71.11
23	B_u	3175	2979	14.21
24	B_u	3091	2901	51.93
25	B_u	1560	1464	15.34
26	B_u	1478	1387	4.68
27	B_u	1378	1293	2.75
28	B_u	1122	1053	0.89
29	B_u	1023	960	11.06
30	B_u	289	271	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.582	0.000
C2	-0.327	-0.582	0.000
C3	-0.327	1.934	0.000
C4	0.327	-1.934	0.000
H5	1.419	0.579	0.000
H6	-1.419	-0.579	0.000
H7	-1.418	1.842	0.000
H8	1.418	-1.842	0.000
H9	-0.033	2.514	0.882
H10	-0.033	2.514	-0.882
H11	0.033	-2.514	0.882
H12	0.033	-2.514	-0.882

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3355	1.5020	2.5159	1.0916	2.0969	2.1521	2.6579	2.1543	2.1543	3.2329	3.2329
C2	1.3355		2.5159	1.5020	2.0969	1.0916	2.6579	2.1521	3.2329	3.2329	2.1543	2.1543
C3	1.5020	2.5159		3.9228	2.2101	2.7398	1.0942	4.1595	1.0960	1.0960	4.5490	4.5490
C4	2.5159	1.5020	3.9228		2.7398	2.2101	4.1595	1.0942	4.5490	4.5490	1.0960	1.0960
H5	1.0916	2.0969	2.2101	2.7398		3.0650	3.1049	2.4210	2.5749	2.5749	3.5025	3.5025
H6	2.0969	1.0916	2.7398	2.2101	3.0650		2.4210	3.1049	3.5025	3.5025	2.5749	2.5749
H7	2.1521	2.6579	1.0942	4.1595	3.1049	2.4210		4.6485	1.7740	1.7740	4.6752	4.6752
H8	2.6579	2.1521	4.1595	1.0942	2.4210	3.1049	4.6485		4.6752	4.6752	1.7740	1.7740
H9	2.1543	3.2329	1.0960	4.5490	2.5749	3.5025	1.7740	4.6752		1.7639	5.0289	5.3293
H10	2.1543	3.2329	1.0960	4.5490	2.5749	3.5025	1.7740	4.6752	1.7639		5.3293	5.0289
H11	3.2329	2.1543	4.5490	1.0960	3.5025	2.5749	4.6752	1.7740	5.0289	5.3293		1.7639
H12	3.2329	2.1543	4.5490	1.0960	3.5025	2.5749	4.6752	1.7740	5.3293	5.0289	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.818	C1	C2	H6	119.191
C1	C3	H7	111.012	C1	C3	H9	111.072
C1	C3	H10	111.072	C2	C1	C3	124.818
C2	C1	H5	119.191	C2	C4	H8	111.012
C2	C4	H11	111.072	C2	C4	H12	111.072
C3	C1	H5	115.991	C4	C2	H6	115.991
H7	C3	H9	108.188	H7	C3	H10	108.188
H8	C4	H11	108.188	H8	C4	H12	108.188
H9	C3	H10	107.157	H11	C4	H12	107.157

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

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

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/6-31G*

States and conformations

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