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	hartrees
Energy at 0K	-156.861070
Energy at 298.15K	-156.868737
HF Energy	-156.166162
Nuclear repulsion energy	117.801676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3043	42.93
2	A₁	3177	3027	1.02
3	A₁	3067	2922	13.36
4	A₁	1720	1639	6.03
5	A₁	1515	1443	4.76
6	A₁	1425	1358	4.29
7	A₁	1288	1227	0.00
8	A₁	1030	981	0.68
9	A₁	883	841	0.58
10	A₁	297	283	0.00
11	A₂	3131	2984	0.00
12	A₂	1499	1428	0.00
13	A₂	1060	1010	0.00
14	A₂	998	951	0.00
15	A₂	388	370	0.00
16	A₂	112	106	0.00
17	B₁	3131	2984	24.82
18	B₁	1505	1434	11.57
19	B₁	1071	1020	4.68
20	B₁	695	663	38.33
21	B₁	120	114	0.93
22	B₂	3174	3025	15.05
23	B₂	3158	3009	0.18
24	B₂	3064	2920	30.04
25	B₂	1507	1436	5.59
26	B₂	1440	1372	7.92
27	B₂	1391	1326	1.39
28	B₂	1163	1108	0.26
29	B₂	994	948	13.05
30	B₂	560	534	5.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.649
C2	0.000	-0.673	0.649
C3	0.000	1.622	-0.513
C4	0.000	-1.622	-0.513
H5	0.000	1.156	1.620
H6	0.000	-1.156	1.620
H7	0.000	1.131	-1.480
H8	0.000	-1.131	-1.480
H9	-0.875	2.274	-0.478
H10	0.875	2.274	-0.478
H11	0.875	-2.274	-0.478
H12	-0.875	-2.274	-0.478

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3450	1.5003	2.5717	1.0848	2.0703	2.1774	2.7900	2.1446	2.1446	3.2735	3.2735
C2	1.3450		2.5717	1.5003	2.0703	1.0848	2.7900	2.1774	3.2735	3.2735	2.1446	2.1446
C3	1.5003	2.5717		3.2436	2.1833	3.5021	1.0840	2.9178	1.0917	1.0917	3.9927	3.9927
C4	2.5717	1.5003	3.2436		3.5021	2.1833	2.9178	1.0840	3.9927	3.9927	1.0917	1.0917
H5	1.0848	2.0703	2.1833	3.5021		2.3117	3.0997	3.8521	2.5332	2.5332	4.1145	4.1145
H6	2.0703	1.0848	3.5021	2.1833	2.3117		3.8521	3.0997	4.1145	4.1145	2.5332	2.5332
H7	2.1774	2.7900	1.0840	2.9178	3.0997	3.8521		2.2625	1.7532	1.7532	3.6555	3.6555
H8	2.7900	2.1774	2.9178	1.0840	3.8521	3.0997	2.2625		3.6555	3.6555	1.7532	1.7532
H9	2.1446	3.2735	1.0917	3.9927	2.5332	4.1145	1.7532	3.6555		1.7499	4.8725	4.5474
H10	2.1446	3.2735	1.0917	3.9927	2.5332	4.1145	1.7532	3.6555	1.7499		4.5474	4.8725
H11	3.2735	2.1446	3.9927	1.0917	4.1145	2.5332	3.6555	1.7532	4.8725	4.5474		1.7499
H12	3.2735	2.1446	3.9927	1.0917	4.1145	2.5332	3.6555	1.7532	4.5474	4.8725	1.7499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	129.250	C1	C2	H6	116.458
C1	C3	H7	113.845	C1	C3	H9	110.677
C1	C3	H10	110.677	C2	C1	C3	129.250
C2	C1	H5	116.458	C2	C4	H8	113.845
C2	C4	H11	110.677	C2	C4	H12	110.677
C3	C1	H5	114.292	C4	C2	H6	114.292
H7	C3	H9	107.380	H7	C3	H10	107.380
H8	C4	H11	107.380	H8	C4	H12	107.380
H9	C3	H10	106.543	H11	C4	H12	106.543

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

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

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