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	hartrees
Energy at 0K	-156.668732
Energy at 298.15K	-156.676401
HF Energy	-156.106679
Nuclear repulsion energy	117.128813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3022	64.65
2	A₁	3179	3009	0.07
3	A₁	3074	2909	10.97
4	A₁	1789	1693	2.05
5	A₁	1553	1470	6.26
6	A₁	1478	1399	4.82
7	A₁	1330	1259	0.05
8	A₁	1059	1002	0.78
9	A₁	895	847	0.57
10	A₁	304	287	0.00
11	A₂	3130	2962	0.00
12	A₂	1536	1454	0.00
13	A₂	1090	1032	0.00
14	A₂	1002	948	0.00
15	A₂	387	367	0.00
16	A₂	115	108	0.00
17	B₁	3130	2963	46.44
18	B₁	1541	1459	10.70
19	B₁	1102	1043	1.97
20	B₁	709	672	35.21
21	B₁	109	104	0.58
22	B₂	3174	3004	23.92
23	B₂	3159	2990	0.23
24	B₂	3070	2906	34.23
25	B₂	1544	1461	3.40
26	B₂	1489	1410	5.82
27	B₂	1439	1362	2.02
28	B₂	1188	1125	0.79
29	B₂	1015	960	8.25
30	B₂	575	544	5.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.637
C2	0.000	-0.674	0.637
C3	0.000	1.661	-0.507
C4	0.000	-1.661	-0.507
H5	0.000	1.154	1.618
H6	0.000	-1.154	1.618
H7	0.000	1.202	-1.494
H8	0.000	-1.202	-1.494
H9	-0.880	2.316	-0.454
H10	0.880	2.316	-0.454
H11	0.880	-2.316	-0.454
H12	-0.880	-2.316	-0.454

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3484	1.5106	2.6001	1.0913	2.0742	2.1959	2.8398	2.1592	2.1592	3.3028	3.3028
C2	1.3484		2.6001	1.5106	2.0742	1.0913	2.8398	2.1959	3.3028	3.3028	2.1592	2.1592
C3	1.5106	2.6001		3.3213	2.1841	3.5261	1.0886	3.0285	1.0985	1.0985	4.0734	4.0734
C4	2.6001	1.5106	3.3213		3.5261	2.1841	3.0285	1.0886	4.0734	4.0734	1.0985	1.0985
H5	1.0913	2.0742	2.1841	3.5261		2.3073	3.1122	3.9031	2.5336	2.5336	4.1361	4.1361
H6	2.0742	1.0913	3.5261	2.1841	2.3073		3.9031	3.1122	4.1361	4.1361	2.5336	2.5336
H7	2.1959	2.8398	1.0886	3.0285	3.1122	3.9031		2.4047	1.7596	1.7596	3.7730	3.7730
H8	2.8398	2.1959	3.0285	1.0886	3.9031	3.1122	2.4047		3.7730	3.7730	1.7596	1.7596
H9	2.1592	3.3028	1.0985	4.0734	2.5336	4.1361	1.7596	3.7730		1.7599	4.9554	4.6324
H10	2.1592	3.3028	1.0985	4.0734	2.5336	4.1361	1.7596	3.7730	1.7599		4.6324	4.9554
H11	3.3028	2.1592	4.0734	1.0985	4.1361	2.5336	3.7730	1.7596	4.9554	4.6324		1.7599
H12	3.3028	2.1592	4.0734	1.0985	4.1361	2.5336	3.7730	1.7596	4.6324	4.9554	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.770	C1	C2	H6	116.059
C1	C3	H7	114.330	C1	C3	H9	110.704
C1	C3	H10	110.704	C2	C1	C3	130.770
C2	C1	H5	116.059	C2	C4	H8	114.330
C2	C4	H11	110.704	C2	C4	H12	110.704
C3	C1	H5	113.171	C4	C2	H6	113.171
H7	C3	H9	107.130	H7	C3	H10	107.130
H8	C4	H11	107.130	H8	C4	H12	107.130
H9	C3	H10	106.456	H11	C4	H12	106.456

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

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

States and conformations

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