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	hartrees
Energy at 0K	-156.682950
Energy at 298.15K	-156.690610
HF Energy	-156.119590
Nuclear repulsion energy	116.741626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3059	50.28
2	A	3198	3046	0.91
3	A	3080	2934	13.80
4	A	1738	1655	3.31
5	A	1492	1421	4.86
6	A	1414	1347	2.68
7	A	1286	1225	0.03
8	A	1024	975	0.55
9	A	886	844	0.52
10	A	291	277	0.01
11	A	3155	3005	0.00
12	A	1478	1407	0.00
13	A	1048	998	0.00
14	A	996	949	0.00
15	A	383	365	0.00
16	A	121	116	0.00
17	A	3155	3005	34.06
18	A	1483	1413	10.89
19	A	1064	1013	2.29
20	A	697	664	33.37
21	A	122	117	0.82
22	A	3197	3045	18.48
23	A	3177	3026	0.10
24	A	3078	2931	34.43
25	A	1486	1416	3.22
26	A	1440	1372	7.07
27	A	1377	1311	3.48
28	A	1159	1104	0.27
29	A	1001	953	11.76
30	A	560	533	6.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.670
C2	0.000	-0.676	0.670
C3	0.000	1.590	-0.527
C4	0.000	-1.590	-0.527
H5	0.000	1.175	1.648
H6	0.000	-1.175	1.648
H7	0.000	1.043	-1.481
H8	0.000	-1.043	-1.481
H9	-0.887	2.249	-0.512
H10	0.887	2.249	-0.512
H11	0.887	-2.249	-0.512
H12	-0.887	-2.249	-0.512

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3523	1.5056	2.5629	1.0985	2.0942	2.1812	2.7529	2.1578	2.1578	3.2769	3.2769
C2	1.3523		2.5629	1.5056	2.0942	1.0985	2.7529	2.1812	3.2769	3.2769	2.1578	2.1578
C3	1.5056	2.5629		3.1810	2.2139	3.5184	1.0999	2.8010	1.1043	1.1043	3.9403	3.9403
C4	2.5629	1.5056	3.1810		3.5184	2.2139	2.8010	1.0999	3.9403	3.9403	1.1043	1.1043
H5	1.0985	2.0942	2.2139	3.5184		2.3508	3.1315	3.8353	2.5702	2.5702	4.1447	4.1447
H6	2.0942	1.0985	3.5184	2.2139	2.3508		3.8353	3.1315	4.1447	4.1447	2.5702	2.5702
H7	2.1812	2.7529	1.0999	2.8010	3.1315	3.8353		2.0860	1.7825	1.7825	3.5439	3.5439
H8	2.7529	2.1812	2.8010	1.0999	3.8353	3.1315	2.0860		3.5439	3.5439	1.7825	1.7825
H9	2.1578	3.2769	1.1043	3.9403	2.5702	4.1447	1.7825	3.5439		1.7731	4.8344	4.4975
H10	2.1578	3.2769	1.1043	3.9403	2.5702	4.1447	1.7825	3.5439	1.7731		4.4975	4.8344
H11	3.2769	2.1578	3.9403	1.1043	4.1447	2.5702	3.5439	1.7825	4.8344	4.4975		1.7731
H12	3.2769	2.1578	3.9403	1.1043	4.1447	2.5702	3.5439	1.7825	4.4975	4.8344	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.394	C1	C2	H6	117.029
C1	C3	H7	112.756	C1	C3	H9	110.598
C1	C3	H10	110.598	C2	C1	C3	127.394
C2	C1	H5	117.029	C2	C4	H8	112.756
C2	C4	H11	110.598	C2	C4	H12	110.598
C3	C1	H5	115.577	C4	C2	H6	115.577
H7	C3	H9	107.929	H7	C3	H10	107.929
H8	C4	H11	107.929	H8	C4	H12	107.929
H9	C3	H10	106.798	H11	C4	H12	106.798

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

using model chemistry: MP2/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, (Z)-)

using model chemistry: MP2/cc-pVDZ

States and conformations

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