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	hartrees
Energy at 0K	-156.989468
Energy at 298.15K	-156.997101
Nuclear repulsion energy	116.757667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3047	66.46
2	A	3071	3027	5.27
3	A	2970	2928	13.95
4	A	1706	1682	3.76
5	A	1478	1457	5.47
6	A	1395	1375	4.19
7	A	1267	1249	0.10
8	A	1005	991	0.80
9	A	864	852	0.57
10	A	284	280	0.01
11	A	3017	2974	0.00
12	A	1462	1441	0.00
13	A	1027	1013	0.00
14	A	969	955	0.00
15	A	383	377	0.00
16	A	154	151	0.00
17	A	3018	2974	44.58
18	A	1466	1445	11.73
19	A	1040	1026	0.33
20	A	674	664	35.82
21	A	133	131	1.17
22	A	3074	3030	22.20
23	A	3057	3013	0.77
24	A	2967	2925	44.29
25	A	1470	1449	2.78
26	A	1412	1392	9.53
27	A	1362	1342	3.12
28	A	1134	1118	1.32
29	A	974	960	17.29
30	A	555	547	8.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.666
C2	0.000	-0.674	0.666
C3	0.000	1.594	-0.523
C4	0.000	-1.594	-0.523
H5	0.000	1.178	1.643
H6	0.000	-1.178	1.643
H7	0.000	1.055	-1.483
H8	0.000	-1.055	-1.483
H9	-0.885	2.258	-0.510
H10	0.885	2.258	-0.510
H11	0.885	-2.258	-0.510
H12	-0.885	-2.258	-0.510

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3478	1.5030	2.5605	1.0991	2.0934	2.1826	2.7580	2.1621	2.1621	3.2803	3.2803
C2	1.3478		2.5605	1.5030	2.0934	1.0991	2.7580	2.1826	3.2803	3.2803	2.1621	2.1621
C3	1.5030	2.5605		3.1880	2.2050	3.5172	1.1017	2.8174	1.1066	1.1066	3.9522	3.9522
C4	2.5605	1.5030	3.1880		3.5172	2.2050	2.8174	1.1017	3.9522	3.9522	1.1066	1.1066
H5	1.0991	2.0934	2.2050	3.5172		2.3553	3.1284	3.8412	2.5659	2.5659	4.1496	4.1496
H6	2.0934	1.0991	3.5172	2.2050	2.3553		3.8412	3.1284	4.1496	4.1496	2.5659	2.5659
H7	2.1826	2.7580	1.1017	2.8174	3.1284	3.8412		2.1092	1.7829	1.7829	3.5641	3.5641
H8	2.7580	2.1826	2.8174	1.1017	3.8412	3.1284	2.1092		3.5641	3.5641	1.7829	1.7829
H9	2.1621	3.2803	1.1066	3.9522	2.5659	4.1496	1.7829	3.5641		1.7707	4.8502	4.5154
H10	2.1621	3.2803	1.1066	3.9522	2.5659	4.1496	1.7829	3.5641	1.7707		4.5154	4.8502
H11	3.2803	2.1621	3.9522	1.1066	4.1496	2.5659	3.5641	1.7829	4.8502	4.5154		1.7707
H12	3.2803	2.1621	3.9522	1.1066	4.1496	2.5659	3.5641	1.7829	4.5154	4.8502	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.745	C1	C2	H6	117.278
C1	C3	H7	112.940	C1	C3	H9	110.978
C1	C3	H10	110.978	C2	C1	C3	127.745
C2	C1	H5	117.278	C2	C4	H8	112.940
C2	C4	H11	110.978	C2	C4	H12	110.978
C3	C1	H5	114.977	C4	C2	H6	114.977
H7	C3	H9	107.683	H7	C3	H10	107.683
H8	C4	H11	107.683	H8	C4	H12	107.683
H9	C3	H10	106.276	H11	C4	H12	106.276

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.097
2	C	-0.097
3	C	-0.534
4	C	-0.534
5	H	0.128
6	H	0.128
7	H	0.165
8	H	0.165
9	H	0.169
10	H	0.169
11	H	0.169
12	H	0.169

<r²>	100.090
(<r²>)^1/2	10.005

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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