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	hartrees
Energy at 0K	-156.734243
Energy at 298.15K	-156.741904
HF Energy	-156.119556
Nuclear repulsion energy	116.514694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3055	57.79
2	A	3178	3040	0.93
3	A	3066	2933	13.61
4	A	1772	1695	3.03
5	A	1497	1432	4.34
6	A	1427	1366	1.74
7	A	1292	1237	0.00
8	A	1028	984	0.70
9	A	885	847	0.44
10	A	291	278	0.00
11	A	3129	2993	0.00
12	A	1483	1418	0.00
13	A	1059	1013	0.00
14	A	1002	959	0.00
15	A	386	369	0.00
16	A	116	111	0.00
17	A	3129	2994	43.95
18	A	1488	1424	9.39
19	A	1071	1024	3.13
20	A	702	671	30.70
21	A	120	115	0.66
22	A	3173	3036	23.36
23	A	3158	3021	0.35
24	A	3062	2930	39.80
25	A	1492	1427	2.30
26	A	1454	1391	6.03
27	A	1391	1330	4.15
28	A	1164	1113	0.13
29	A	999	955	9.01
30	A	563	538	5.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.670
C2	0.000	-0.674	0.670
C3	0.000	1.597	-0.527
C4	0.000	-1.597	-0.527
H5	0.000	1.177	1.648
H6	0.000	-1.177	1.648
H7	0.000	1.054	-1.485
H8	0.000	-1.054	-1.485
H9	-0.889	2.256	-0.509
H10	0.889	2.256	-0.509
H11	0.889	-2.256	-0.509
H12	-0.889	-2.256	-0.509

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3486	1.5114	2.5676	1.0998	2.0938	2.1883	2.7625	2.1633	2.1633	3.2809	3.2809
C2	1.3486		2.5676	1.5114	2.0938	1.0998	2.7625	2.1883	3.2809	3.2809	2.1633	2.1633
C3	1.5114	2.5676		3.1946	2.2153	3.5252	1.1017	2.8191	1.1061	1.1061	3.9543	3.9543
C4	2.5676	1.5114	3.1946		3.5252	2.2153	2.8191	1.1017	3.9543	3.9543	1.1061	1.1061
H5	1.0998	2.0938	2.2153	3.5252		2.3539	3.1358	3.8464	2.5702	2.5702	4.1503	4.1503
H6	2.0938	1.0998	3.5252	2.2153	2.3539		3.8464	3.1358	4.1503	4.1503	2.5702	2.5702
H7	2.1883	2.7625	1.1017	2.8191	3.1358	3.8464		2.1079	1.7854	1.7854	3.5634	3.5634
H8	2.7625	2.1883	2.8191	1.1017	3.8464	3.1358	2.1079		3.5634	3.5634	1.7854	1.7854
H9	2.1633	3.2809	1.1061	3.9543	2.5702	4.1503	1.7854	3.5634		1.7772	4.8490	4.5116
H10	2.1633	3.2809	1.1061	3.9543	2.5702	4.1503	1.7854	3.5634	1.7772		4.5116	4.8490
H11	3.2809	2.1633	3.9543	1.1061	4.1503	2.5702	3.5634	1.7854	4.8490	4.5116		1.7772
H12	3.2809	2.1633	3.9543	1.1061	4.1503	2.5702	3.5634	1.7854	4.5116	4.8490	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.641	C1	C2	H6	117.196
C1	C3	H7	112.808	C1	C3	H9	110.522
C1	C3	H10	110.522	C2	C1	C3	127.641
C2	C1	H5	117.196	C2	C4	H8	112.808
C2	C4	H11	110.522	C2	C4	H12	110.522
C3	C1	H5	115.163	C4	C2	H6	115.163
H7	C3	H9	107.931	H7	C3	H10	107.931
H8	C4	H11	107.931	H8	C4	H12	107.931
H9	C3	H10	106.900	H11	C4	H12	106.900

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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