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	hartrees
Energy at 0K	-26.578496
Energy at 298.15K	-26.586327
Nuclear repulsion energy	66.160153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3352	3010	105.88
2	A	3326	2987	26.22
3	A	3218	2890	20.31
4	A	1897	1703	4.71
5	A	1621	1456	4.41
6	A	1553	1395	0.59
7	A	1373	1233	0.00
8	A	1099	987	0.49
9	A	921	827	0.78
10	A	306	274	0.00
11	A	3261	2928	0.00
12	A	1610	1446	0.00
13	A	1153	1035	0.00
14	A	1093	982	0.00
15	A	403	362	0.00
16	A	126	113	0.00
17	A	3262	2929	123.63
18	A	1616	1451	11.96
19	A	1161	1043	10.74
20	A	759	682	53.09
21	A	129	116	0.80
22	A	3317	2979	48.65
23	A	3299	2963	3.33
24	A	3214	2886	93.72
25	A	1614	1450	4.78
26	A	1570	1410	0.66
27	A	1496	1344	12.38
28	A	1245	1118	0.00
29	A	1037	931	9.24
30	A	584	524	5.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	0.695
C2	0.000	-0.675	0.695
C3	0.000	1.608	-0.506
C4	0.000	-1.608	-0.506
H5	0.000	1.169	1.661
H6	0.000	-1.169	1.661
H7	0.000	1.077	-1.456
H8	0.000	-1.077	-1.456
H9	-0.880	2.256	-0.480
H10	0.880	2.256	-0.480
H11	0.880	-2.256	-0.480
H12	-0.880	-2.256	-0.480

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3496	1.5209	2.5792	1.0846	2.0810	2.1879	2.7737	2.1577	2.1577	3.2782	3.2782
C2	1.3496		2.5792	1.5209	2.0810	1.0846	2.7737	2.1879	3.2782	3.2782	2.1577	2.1577
C3	1.5209	2.5792		3.2152	2.2109	3.5217	1.0877	2.8474	1.0933	1.0933	3.9630	3.9630
C4	2.5792	1.5209	3.2152		3.5217	2.2109	2.8474	1.0877	3.9630	3.9630	1.0933	1.0933
H5	1.0846	2.0810	2.2109	3.5217		2.3372	3.1176	3.8409	2.5572	2.5572	4.1336	4.1336
H6	2.0810	1.0846	3.5217	2.2109	2.3372		3.8409	3.1176	4.1336	4.1336	2.5572	2.5572
H7	2.1879	2.7737	1.0877	2.8474	3.1176	3.8409		2.1536	1.7656	1.7656	3.5828	3.5828
H8	2.7737	2.1879	2.8474	1.0877	3.8409	3.1176	2.1536		3.5828	3.5828	1.7656	1.7656
H9	2.1577	3.2782	1.0933	3.9630	2.5572	4.1336	1.7656	3.5828		1.7591	4.8437	4.5130
H10	2.1577	3.2782	1.0933	3.9630	2.5572	4.1336	1.7656	3.5828	1.7591		4.5130	4.8437
H11	3.2782	2.1577	3.9630	1.0933	4.1336	2.5572	3.5828	1.7656	4.8437	4.5130		1.7591
H12	3.2782	2.1577	3.9630	1.0933	4.1336	2.5572	3.5828	1.7656	4.5130	4.8437	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.832	C1	C2	H6	117.085
C1	C3	H7	112.959	C1	C3	H9	110.183
C1	C3	H10	110.183	C2	C1	C3	127.832
C2	C1	H5	117.085	C2	C4	H8	112.959
C2	C4	H11	110.183	C2	C4	H12	110.183
C3	C1	H5	115.083	C4	C2	H6	115.083
H7	C3	H9	108.096	H7	C3	H10	108.096
H8	C4	H11	108.096	H8	C4	H12	108.096
H9	C3	H10	107.121	H11	C4	H12	107.121

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

using model chemistry: HF/CEP-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	-0.270
2	C	-0.270
3	C	-0.284
4	C	-0.284
5	H	0.214
6	H	0.214
7	H	0.125
8	H	0.125
9	H	0.107
10	H	0.107
11	H	0.107
12	H	0.107

<r²>	85.877
(<r²>)^1/2	9.267

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

using model chemistry: HF/CEP-31G*

States and conformations

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