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	hartrees
Energy at 0K	-157.123545
Energy at 298.15K	-157.131166
Nuclear repulsion energy	114.501449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3030	3035	0.00
2	A	3015	3020	0.00
3	A	2931	2936	0.00
4	A	1687	1689	0.00
5	A	1418	1420	0.00
6	A	1358	1360	0.00
7	A	1284	1286	0.00
8	A	1127	1129	0.00
9	A	849	851	0.00
10	A	487	488	0.00
11	A	2972	2977	54.47
12	A	1410	1412	9.41
13	A	1026	1028	0.08
14	A	967	968	20.48
15	A	240	241	2.61
16	A	176	176	1.46
17	A	2972	2977	0.00
18	A	1410	1412	0.00
19	A	1018	1020	0.00
20	A	729	731	0.00
21	A	228	229	0.00
22	A	3038	3043	92.30
23	A	3013	3018	12.13
24	A	2930	2935	81.87
25	A	1427	1430	13.25
26	A	1355	1358	1.45
27	A	1275	1277	7.71
28	A	1049	1050	4.28
29	A	953	954	14.59
30	A	271	272	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.000
C2	0.000	-0.674	0.000
C3	-1.230	1.551	0.000
C4	1.230	-1.551	0.000
H5	0.972	1.202	0.000
H6	-0.972	-1.202	0.000
H7	-2.163	0.952	0.000
H8	2.163	-0.952	0.000
H9	-1.252	2.219	0.889
H10	-1.252	2.219	-0.889
H11	1.252	-2.219	0.889
H12	1.252	-2.219	-0.889

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3484	1.5105	2.5424	1.1061	2.1128	2.1808	2.7059	2.1781	2.1781	3.2754	3.2754
C2	1.3484		2.5424	1.5105	2.1128	1.1061	2.7059	2.1808	3.2754	3.2754	2.1781	2.1781
C3	1.5105	2.5424		3.9588	2.2300	2.7643	1.1088	4.2161	1.1126	1.1126	4.6002	4.6002
C4	2.5424	1.5105	3.9588		2.7643	2.2300	4.2161	1.1088	4.6002	4.6002	1.1126	1.1126
H5	1.1061	2.1128	2.2300	2.7643		3.0913	3.1453	2.4604	2.6023	2.6023	3.5453	3.5453
H6	2.1128	1.1061	2.7643	2.2300	3.0913		2.4604	3.1453	3.5453	3.5453	2.6023	2.6023
H7	2.1808	2.7059	1.1088	4.2161	3.1453	2.4604		4.7263	1.7966	1.7966	4.7439	4.7439
H8	2.7059	2.1808	4.2161	1.1088	2.4604	3.1453	4.7263		4.7439	4.7439	1.7966	1.7966
H9	2.1781	3.2754	1.1126	4.6002	2.6023	3.5453	1.7966	4.7439		1.7785	5.0954	5.3969
H10	2.1781	3.2754	1.1126	4.6002	2.6023	3.5453	1.7966	4.7439	1.7785		5.3969	5.0954
H11	3.2754	2.1781	4.6002	1.1126	3.5453	2.6023	4.7439	1.7966	5.0954	5.3969		1.7785
H12	3.2754	2.1781	4.6002	1.1126	3.5453	2.6023	4.7439	1.7966	5.3969	5.0954	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.469	C1	C2	H6	118.474
C1	C3	H7	111.820	C1	C3	H9	111.366
C1	C3	H10	111.366	C2	C1	C3	125.469
C2	C1	H5	118.474	C2	C4	H8	111.820
C2	C4	H11	111.366	C2	C4	H12	111.366
C3	C1	H5	116.058	C4	C2	H6	116.058
H7	C3	H9	107.958	H7	C3	H10	107.958
H8	C4	H11	107.958	H8	C4	H12	107.958
H9	C3	H10	106.117	H11	C4	H12	106.117

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

using model chemistry: BLYP/cc-pVDZ

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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Number	Element	Mulliken
1	C	-0.040
2	C	-0.040
3	C	0.056
4	C	0.056
5	H	-0.052
6	H	-0.052
7	H	0.001
8	H	0.001
9	H	0.018
10	H	0.018
11	H	0.018
12	H	0.018

	x	y	z
x	7.206	-1.295	0.000
y	-1.295	9.493	0.000
z	0.000	0.000	4.783

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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