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	hartrees
Energy at 0K	-157.130604
Energy at 298.15K	-157.138221
Nuclear repulsion energy	116.449439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3073	3049	74.14
2	A	3051	3027	8.03
3	A	2953	2930	13.29
4	A	1684	1671	3.51
5	A	1472	1461	3.22
6	A	1392	1382	1.50
7	A	1266	1256	0.02
8	A	999	991	0.93
9	A	846	840	0.27
10	A	278	276	0.00
11	A	2990	2967	0.00
12	A	1458	1447	0.00
13	A	1027	1019	0.00
14	A	973	966	0.00
15	A	382	379	0.00
16	A	147	146	0.00
17	A	2991	2967	58.36
18	A	1462	1451	7.79
19	A	1041	1033	0.63
20	A	677	672	27.86
21	A	129	128	0.95
22	A	3053	3030	24.85
23	A	3036	3013	2.15
24	A	2950	2927	53.03
25	A	1465	1454	1.34
26	A	1408	1397	7.67
27	A	1364	1353	5.60
28	A	1128	1119	1.13
29	A	956	949	14.37
30	A	556	552	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.668
C2	0.000	-0.674	0.668
C3	0.000	1.603	-0.525
C4	0.000	-1.603	-0.525
H5	0.000	1.178	1.643
H6	0.000	-1.178	1.643
H7	0.000	1.069	-1.486
H8	0.000	-1.069	-1.486
H9	-0.884	2.266	-0.509
H10	0.884	2.266	-0.509
H11	0.884	-2.266	-0.509
H12	-0.884	-2.266	-0.509

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3487	1.5118	2.5711	1.0974	2.0931	2.1894	2.7706	2.1677	2.1677	3.2880	3.2880
C2	1.3487		2.5711	1.5118	2.0931	1.0974	2.7706	2.1894	3.2880	3.2880	2.1677	2.1677
C3	1.5118	2.5711		3.2068	2.2092	3.5262	1.0995	2.8397	1.1049	1.1049	3.9690	3.9690
C4	2.5711	1.5118	3.2068		3.5262	2.2092	2.8397	1.0995	3.9690	3.9690	1.1049	1.1049
H5	1.0974	2.0931	2.2092	3.5262		2.3554	3.1306	3.8517	2.5682	2.5682	4.1557	4.1557
H6	2.0931	1.0974	3.5262	2.2092	2.3554		3.8517	3.1306	4.1557	4.1557	2.5682	2.5682
H7	2.1894	2.7706	1.0995	2.8397	3.1306	3.8517		2.1377	1.7802	1.7802	3.5856	3.5856
H8	2.7706	2.1894	2.8397	1.0995	3.8517	3.1306	2.1377		3.5856	3.5856	1.7802	1.7802
H9	2.1677	3.2880	1.1049	3.9690	2.5682	4.1557	1.7802	3.5856		1.7683	4.8645	4.5318
H10	2.1677	3.2880	1.1049	3.9690	2.5682	4.1557	1.7802	3.5856	1.7683		4.5318	4.8645
H11	3.2880	2.1677	3.9690	1.1049	4.1557	2.5682	3.5856	1.7802	4.8645	4.5318		1.7683
H12	3.2880	2.1677	3.9690	1.1049	4.1557	2.5682	3.5856	1.7802	4.5318	4.8645	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.917	C1	C2	H6	117.303
C1	C3	H7	112.995	C1	C3	H9	110.915
C1	C3	H10	110.915	C2	C1	C3	127.917
C2	C1	H5	117.303	C2	C4	H8	112.995
C2	C4	H11	110.915	C2	C4	H12	110.915
C3	C1	H5	114.780	C4	C2	H6	114.780
H7	C3	H9	107.710	H7	C3	H10	107.710
H8	C4	H11	107.710	H8	C4	H12	107.710
H9	C3	H10	106.294	H11	C4	H12	106.294

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

using model chemistry: BLYP/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	-0.320
2	C	-0.320
3	C	-0.035
4	C	-0.035
5	H	0.102
6	H	0.102
7	H	0.102
8	H	0.102
9	H	0.096
10	H	0.096
11	H	0.055
12	H	0.055

<r²>	100.859
(<r²>)^1/2	10.043

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

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

States and conformations

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