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	hartrees
Energy at 0K	-155.652460
Energy at 298.15K	-155.660128
HF Energy	-155.241460
Nuclear repulsion energy	116.387838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3142	3006	58.40
2	A	3126	2990	0.07
3	A	3035	2903	8.72
4	A	1725	1650	0.67
5	A	1582	1513	6.52
6	A	1489	1424	8.01
7	A	1340	1281	0.30
8	A	1062	1016	1.79
9	A	847	810	0.45
10	A	309	296	0.03
11	A	3077	2944	0.00
12	A	1572	1503	0.00
13	A	1115	1067	0.00
14	A	1012	968	0.00
15	A	383	367	0.00
16	A	118	113	0.00
17	A	3078	2944	44.79
18	A	1576	1507	10.99
19	A	1119	1070	0.52
20	A	711	680	42.79
21	A	97	92	0.57
22	A	3120	2984	23.11
23	A	3103	2968	0.26
24	A	3031	2900	27.39
25	A	1575	1507	3.47
26	A	1479	1415	5.27
27	A	1470	1406	0.12
28	A	1186	1134	2.63
29	A	967	924	6.43
30	A	585	559	5.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.679
C2	0.000	-0.672	0.679
C3	0.000	1.600	-0.534
C4	0.000	-1.600	-0.534
H5	0.000	1.188	1.643
H6	0.000	-1.188	1.643
H7	0.000	1.040	-1.477
H8	0.000	-1.040	-1.477
H9	-0.889	2.249	-0.519
H10	0.889	2.249	-0.519
H11	0.889	-2.249	-0.519
H12	-0.889	-2.249	-0.519

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3446	1.5266	2.5753	1.0931	2.0950	2.1867	2.7530	2.1700	2.1700	3.2796	3.2796
C2	1.3446		2.5753	1.5266	2.0950	1.0931	2.7530	2.1867	3.2796	3.2796	2.1700	2.1700
C3	1.5266	2.5753		3.1994	2.2152	3.5366	1.0965	2.8032	1.1006	1.1006	3.9497	3.9497
C4	2.5753	1.5266	3.1994		3.5366	2.2152	2.8032	1.0965	3.9497	3.9497	1.1006	1.1006
H5	1.0931	2.0950	2.2152	3.5366		2.3755	3.1230	3.8334	2.5666	2.5666	4.1558	4.1558
H6	2.0950	1.0931	3.5366	2.2152	2.3755		3.8334	3.1230	4.1558	4.1558	2.5666	2.5666
H7	2.1867	2.7530	1.0965	2.8032	3.1230	3.8334		2.0803	1.7800	1.7800	3.5390	3.5390
H8	2.7530	2.1867	2.8032	1.0965	3.8334	3.1230	2.0803		3.5390	3.5390	1.7800	1.7800
H9	2.1700	3.2796	1.1006	3.9497	2.5666	4.1558	1.7800	3.5390		1.7776	4.8359	4.4974
H10	2.1700	3.2796	1.1006	3.9497	2.5666	4.1558	1.7800	3.5390	1.7776		4.4974	4.8359
H11	3.2796	2.1700	3.9497	1.1006	4.1558	2.5666	3.5390	1.7800	4.8359	4.4974		1.7776
H12	3.2796	2.1700	3.9497	1.1006	4.1558	2.5666	3.5390	1.7800	4.4974	4.8359	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.410	C1	C2	H6	118.135
C1	C3	H7	111.906	C1	C3	H9	110.325
C1	C3	H10	110.325	C2	C1	C3	127.410
C2	C1	H5	118.135	C2	C4	H8	111.906
C2	C4	H11	110.325	C2	C4	H12	110.325
C3	C1	H5	114.455	C4	C2	H6	114.455
H7	C3	H9	108.221	H7	C3	H10	108.221
H8	C4	H11	108.221	H8	C4	H12	108.221
H9	C3	H10	107.712	H11	C4	H12	107.712

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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