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	hartrees
Energy at 0K	-156.894519
Energy at 298.15K	-156.902227
HF Energy	-156.165190
Nuclear repulsion energy	117.627387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3040	45.80
2	A₁	3154	3014	10.66
3	A₁	3052	2916	11.71
4	A₁	1756	1678	3.86
5	A₁	1518	1450	4.61
6	A₁	1439	1375	3.50
7	A₁	1301	1243	0.00
8	A₁	1037	991	0.78
9	A₁	882	843	0.45
10	A₁	296	283	0.00
11	A₂	3101	2963	0.00
12	A₂	1502	1435	0.00
13	A₂	1073	1026	0.00
14	A₂	1013	968	0.00
15	A₂	395	377	0.00
16	A₂	119	113	0.00
17	B₁	3101	2963	41.12
18	B₁	1508	1441	9.86
19	B₁	1081	1033	4.98
20	B₁	708	676	35.44
21	B₁	122	116	0.63
22	B₂	3157	3016	14.34
23	B₂	3138	2998	7.27
24	B₂	3049	2913	38.69
25	B₂	1510	1443	3.59
26	B₂	1461	1396	6.37
27	B₂	1404	1342	2.29
28	B₂	1173	1121	0.18
29	B₂	995	951	10.87
30	B₂	567	542	4.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.646
C2	0.000	-0.671	0.646
C3	0.000	1.634	-0.511
C4	0.000	-1.634	-0.511
H5	0.000	1.152	1.618
H6	0.000	-1.152	1.618
H7	0.000	1.155	-1.484
H8	0.000	-1.155	-1.484
H9	-0.876	2.287	-0.471
H10	0.876	2.287	-0.471
H11	0.876	-2.287	-0.471
H12	-0.876	-2.287	-0.471

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3421	1.5052	2.5792	1.0844	2.0659	2.1835	2.8050	2.1502	2.1502	3.2804	3.2804
C2	1.3421		2.5792	1.5052	2.0659	1.0844	2.8050	2.1835	3.2804	3.2804	2.1502	2.1502
C3	1.5052	2.5792		3.2684	2.1827	3.5063	1.0842	2.9538	1.0927	1.0927	4.0176	4.0176
C4	2.5792	1.5052	3.2684		3.5063	2.1827	2.9538	1.0842	4.0176	4.0176	1.0927	1.0927
H5	1.0844	2.0659	2.1827	3.5063		2.3038	3.1012	3.8651	2.5330	2.5330	4.1173	4.1173
H6	2.0659	1.0844	3.5063	2.1827	2.3038		3.8651	3.1012	4.1173	4.1173	2.5330	2.5330
H7	2.1835	2.8050	1.0842	2.9538	3.1012	3.8651		2.3098	1.7530	1.7530	3.6928	3.6928
H8	2.8050	2.1835	2.9538	1.0842	3.8651	3.1012	2.3098		3.6928	3.6928	1.7530	1.7530
H9	2.1502	3.2804	1.0927	4.0176	2.5330	4.1173	1.7530	3.6928		1.7510	4.8971	4.5734
H10	2.1502	3.2804	1.0927	4.0176	2.5330	4.1173	1.7530	3.6928	1.7510		4.5734	4.8971
H11	3.2804	2.1502	4.0176	1.0927	4.1173	2.5330	3.6928	1.7530	4.8971	4.5734		1.7510
H12	3.2804	2.1502	4.0176	1.0927	4.1173	2.5330	3.6928	1.7530	4.5734	4.8971	1.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.781	C1	C2	H6	116.323
C1	C3	H7	113.983	C1	C3	H9	110.720
C1	C3	H10	110.720	C2	C1	C3	129.781
C2	C1	H5	116.323	C2	C4	H8	113.983
C2	C4	H11	110.720	C2	C4	H12	110.720
C3	C1	H5	113.896	C4	C2	H6	113.896
H7	C3	H9	107.278	H7	C3	H10	107.278
H8	C4	H11	107.278	H8	C4	H12	107.278
H9	C3	H10	106.504	H11	C4	H12	106.504

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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