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	hartrees
Energy at 0K	-156.740659
Energy at 298.15K	-156.748365
HF Energy	-156.121998
Nuclear repulsion energy	114.804415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3028	0.00
2	A	3140	3013	0.00
3	A	3048	2925	0.00
4	A	1767	1695	0.00
5	A	1489	1428	0.00
6	A	1421	1363	0.00
7	A	1326	1273	0.00
8	A	1174	1127	0.00
9	A	884	848	0.00
10	A	499	479	0.00
11	A	3116	2990	50.27
12	A	1479	1419	9.87
13	A	1071	1027	1.75
14	A	997	957	26.14
15	A	244	234	2.83
16	A	171	164	0.88
17	A	3117	2990	0.00
18	A	1479	1419	0.00
19	A	1060	1017	0.00
20	A	745	715	0.00
21	A	219	210	0.00
22	A	3161	3033	71.84
23	A	3138	3011	15.99
24	A	3048	2924	68.59
25	A	1495	1435	13.58
26	A	1420	1362	2.39
27	A	1324	1271	4.96
28	A	1101	1056	2.46
29	A	985	945	8.97
30	A	280	269	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.000
C2	0.000	-0.674	0.000
C3	-1.241	1.535	0.000
C4	1.241	-1.535	0.000
H5	0.966	1.203	0.000
H6	-0.966	-1.203	0.000
H7	-2.156	0.916	0.000
H8	2.156	-0.916	0.000
H9	-1.269	2.193	0.890
H10	-1.269	2.193	-0.890
H11	1.269	-2.193	0.890
H12	1.269	-2.193	-0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3480	1.5106	2.5339	1.1015	2.1110	2.1697	2.6791	2.1700	2.1700	3.2589	3.2589
C2	1.3480		2.5339	1.5106	2.1110	1.1015	2.6791	2.1697	3.2589	3.2589	2.1700	2.1700
C3	1.5106	2.5339		3.9482	2.2323	2.7517	1.1045	4.1894	1.1066	1.1066	4.5815	4.5815
C4	2.5339	1.5106	3.9482		2.7517	2.2323	4.1894	1.1045	4.5815	4.5815	1.1066	1.1066
H5	1.1015	2.1110	2.2323	2.7517		3.0858	3.1355	2.4303	2.6018	2.6018	3.5232	3.5232
H6	2.1110	1.1015	2.7517	2.2323	3.0858		2.4303	3.1355	3.5232	3.5232	2.6018	2.6018
H7	2.1697	2.6791	1.1045	4.1894	3.1355	2.4303		4.6855	1.7908	1.7908	4.7107	4.7107
H8	2.6791	2.1697	4.1894	1.1045	2.4303	3.1355	4.6855		4.7107	4.7107	1.7908	1.7908
H9	2.1700	3.2589	1.1066	4.5815	2.6018	3.5232	1.7908	4.7107		1.7792	5.0672	5.3705
H10	2.1700	3.2589	1.1066	4.5815	2.6018	3.5232	1.7908	4.7107	1.7792		5.3705	5.0672
H11	3.2589	2.1700	4.5815	1.1066	3.5232	2.6018	4.7107	1.7908	5.0672	5.3705		1.7792
H12	3.2589	2.1700	4.5815	1.1066	3.5232	2.6018	4.7107	1.7908	5.3705	5.0672	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.749	C1	C2	H6	118.693
C1	C3	H7	111.177	C1	C3	H9	111.078
C1	C3	H10	111.078	C2	C1	C3	124.749
C2	C1	H5	118.693	C2	C4	H8	111.177
C2	C4	H11	111.078	C2	C4	H12	111.078
C3	C1	H5	116.558	C4	C2	H6	116.558
H7	C3	H9	108.168	H7	C3	H10	108.168
H8	C4	H11	108.168	H8	C4	H12	108.168
H9	C3	H10	107.008	H11	C4	H12	107.008

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

using model chemistry: QCISD/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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All results from a given calculation for CH3CHCHCH3 (2-Butene, (E)-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

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