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	hartrees
Energy at 0K	-156.739666
Energy at 298.15K	-156.747331
HF Energy	-156.120241
Nuclear repulsion energy	117.320417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3038	68.87
2	A	3211	3023	2.07
3	A	3102	2920	13.08
4	A	1780	1675	2.32
5	A	1558	1467	3.91
6	A	1477	1391	2.22
7	A	1325	1247	0.00
8	A	1055	993	0.62
9	A	891	839	0.34
10	A	300	282	0.00
11	A	3161	2975	0.00
12	A	1540	1450	0.00
13	A	1085	1022	0.00
14	A	1008	949	0.00
15	A	382	360	0.00
16	A	108	102	0.00
17	A	3161	2976	55.46
18	A	1545	1455	7.11
19	A	1101	1037	3.01
20	A	710	669	29.15
21	A	112	106	0.55
22	A	3206	3018	27.24
23	A	3192	3005	1.64
24	A	3098	2917	41.40
25	A	1549	1458	1.92
26	A	1490	1403	3.81
27	A	1437	1353	5.13
28	A	1187	1118	0.37
29	A	1010	951	7.30
30	A	572	538	4.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.667
C2	0.000	-0.671	0.667
C3	0.000	1.591	-0.524
C4	0.000	-1.591	-0.524
H5	0.000	1.171	1.631
H6	0.000	-1.171	1.631
H7	0.000	1.052	-1.470
H8	0.000	-1.052	-1.470
H9	-0.879	2.240	-0.507
H10	0.879	2.240	-0.507
H11	0.879	-2.240	-0.507
H12	-0.879	-2.240	-0.507

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3414	1.5050	2.5558	1.0862	2.0787	2.1708	2.7451	2.1475	2.1475	3.2589	3.2589
C2	1.3414		2.5558	1.5050	2.0787	1.0862	2.7451	2.1708	3.2589	3.2589	2.1475	2.1475
C3	1.5050	2.5558		3.1810	2.1960	3.5029	1.0883	2.8069	1.0925	1.0925	3.9297	3.9297
C4	2.5558	1.5050	3.1810		3.5029	2.1960	2.8069	1.0883	3.9297	3.9297	1.0925	1.0925
H5	1.0862	2.0787	2.1960	3.5029		2.3415	3.1036	3.8157	2.5469	2.5469	4.1201	4.1201
H6	2.0787	1.0862	3.5029	2.1960	2.3415		3.8157	3.1036	4.1201	4.1201	2.5469	2.5469
H7	2.1708	2.7451	1.0883	2.8069	3.1036	3.8157		2.1044	1.7634	1.7634	3.5406	3.5406
H8	2.7451	2.1708	2.8069	1.0883	3.8157	3.1036	2.1044		3.5406	3.5406	1.7634	1.7634
H9	2.1475	3.2589	1.0925	3.9297	2.5469	4.1201	1.7634	3.5406		1.7572	4.8117	4.4794
H10	2.1475	3.2589	1.0925	3.9297	2.5469	4.1201	1.7634	3.5406	1.7572		4.4794	4.8117
H11	3.2589	2.1475	3.9297	1.0925	4.1201	2.5469	3.5406	1.7634	4.8117	4.4794		1.7572
H12	3.2589	2.1475	3.9297	1.0925	4.1201	2.5469	3.5406	1.7634	4.4794	4.8117	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.674	C1	C2	H6	117.409
C1	C3	H7	112.681	C1	C3	H9	110.528
C1	C3	H10	110.528	C2	C1	C3	127.674
C2	C1	H5	117.409	C2	C4	H8	112.681
C2	C4	H11	110.528	C2	C4	H12	110.528
C3	C1	H5	114.917	C4	C2	H6	114.917
H7	C3	H9	107.915	H7	C3	H10	107.915
H8	C4	H11	107.915	H8	C4	H12	107.915
H9	C3	H10	107.062	H11	C4	H12	107.062

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

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

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