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	hartrees
Energy at 0K	-155.661309
Energy at 298.15K	-155.668969
HF Energy	-155.240861
Nuclear repulsion energy	116.216620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3131	3037
2	A	3114	3020
3	A	3024	2933
4	A	1690	1639
5	A	1576	1528
6	A	1481	1436
7	A	1329	1289
8	A	1054	1023
9	A	838	812
10	A	307	298
11	A	3070	2978
12	A	1568	1521
13	A	1106	1072
14	A	1000	970
15	A	379	367
16	A	121	117
17	A	3071	2978
18	A	1572	1525
19	A	1114	1080
20	A	704	683
21	A	98	95
22	A	3109	3015
23	A	3092	2999
24	A	3021	2929
25	A	1572	1524
26	A	1469	1424
27	A	1460	1416
28	A	1178	1142
29	A	958	929
30	A	580	562

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	0.681
C2	0.000	-0.675	0.681
C3	0.000	1.601	-0.535
C4	0.000	-1.601	-0.535
H5	0.000	1.191	1.646
H6	0.000	-1.191	1.646
H7	0.000	1.036	-1.477
H8	0.000	-1.036	-1.477
H9	-0.889	2.250	-0.522
H10	0.889	2.250	-0.522
H11	0.889	-2.250	-0.522
H12	-0.889	-2.250	-0.522

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3498	1.5286	2.5803	1.0941	2.1005	2.1877	2.7539	2.1724	2.1724	3.2853	3.2853
C2	1.3498		2.5803	1.5286	2.1005	1.0941	2.7539	2.1877	3.2853	3.2853	2.1724	2.1724
C3	1.5286	2.5803		3.2015	2.2192	3.5427	1.0975	2.8001	1.1012	1.1012	3.9520	3.9520
C4	2.5803	1.5286	3.2015		3.5427	2.2192	2.8001	1.0975	3.9520	3.9520	1.1012	1.1012
H5	1.0941	2.1005	2.2192	3.5427		2.3819	3.1261	3.8354	2.5715	2.5715	4.1630	4.1630
H6	2.1005	1.0941	3.5427	2.2192	2.3819		3.8354	3.1261	4.1630	4.1630	2.5715	2.5715
H7	2.1877	2.7539	1.0975	2.8001	3.1261	3.8354		2.0728	1.7817	1.7817	3.5357	3.5357
H8	2.7539	2.1877	2.8001	1.0975	3.8354	3.1261	2.0728		3.5357	3.5357	1.7817	1.7817
H9	2.1724	3.2853	1.1012	3.9520	2.5715	4.1630	1.7817	3.5357		1.7790	4.8386	4.4997
H10	2.1724	3.2853	1.1012	3.9520	2.5715	4.1630	1.7817	3.5357	1.7790		4.4997	4.8386
H11	3.2853	2.1724	3.9520	1.1012	4.1630	2.5715	3.5357	1.7817	4.8386	4.4997		1.7790
H12	3.2853	2.1724	3.9520	1.1012	4.1630	2.5715	3.5357	1.7817	4.4997	4.8386	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.277	C1	C2	H6	118.143
C1	C3	H7	111.777	C1	C3	H9	110.338
C1	C3	H10	110.338	C2	C1	C3	127.277
C2	C1	H5	118.143	C2	C4	H8	111.777
C2	C4	H11	110.338	C2	C4	H12	110.338
C3	C1	H5	114.579	C4	C2	H6	114.579
H7	C3	H9	108.258	H7	C3	H10	108.258
H8	C4	H11	108.258	H8	C4	H12	108.258
H9	C3	H10	107.747	H11	C4	H12	107.747

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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