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	hartrees
Energy at 0K	-156.415850
Energy at 298.15K	-156.423491
HF Energy	-156.046092
Nuclear repulsion energy	116.293993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3018	75.77
2	A	3156	2999	3.82
3	A	3055	2903	15.18
4	A	1723	1637	1.59
5	A	1574	1496	5.81
6	A	1496	1422	6.78
7	A	1345	1278	0.24
8	A	1067	1013	1.17
9	A	881	837	0.46
10	A	302	287	0.02
11	A	3117	2961	0.00
12	A	1554	1476	0.00
13	A	1111	1056	0.00
14	A	1005	955	0.00
15	A	383	364	0.00
16	A	98	93	0.00
17	A	3117	2962	56.49
18	A	1560	1482	11.52
19	A	1126	1069	1.56
20	A	715	680	41.65
21	A	94	90	0.65
22	A	3153	2996	31.85
23	A	3138	2981	0.98
24	A	3052	2899	36.84
25	A	1568	1490	4.08
26	A	1486	1412	5.31
27	A	1470	1396	1.59
28	A	1195	1135	1.71
29	A	1011	961	8.49
30	A	585	556	5.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.678	0.673
C2	0.000	-0.678	0.673
C3	0.000	1.606	-0.528
C4	0.000	-1.606	-0.528
H5	0.000	1.184	1.643
H6	0.000	-1.184	1.643
H7	0.000	1.056	-1.477
H8	0.000	-1.056	-1.477
H9	-0.886	2.259	-0.517
H10	0.886	2.259	-0.517
H11	0.886	-2.259	-0.517
H12	-0.886	-2.259	-0.517

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3566	1.5177	2.5810	1.0938	2.1000	2.1833	2.7627	2.1679	2.1679	3.2906	3.2906
C2	1.3566		2.5810	1.5177	2.1000	1.0938	2.7627	2.1833	3.2906	3.2906	2.1679	2.1679
C3	1.5177	2.5810		3.2127	2.2112	3.5355	1.0972	2.8269	1.1005	1.1005	3.9654	3.9654
C4	2.5810	1.5177	3.2127		3.5355	2.2112	2.8269	1.0972	3.9654	3.9654	1.1005	1.1005
H5	1.0938	2.1000	2.2112	3.5355		2.3689	3.1225	3.8412	2.5698	2.5698	4.1600	4.1600
H6	2.1000	1.0938	3.5355	2.2112	2.3689		3.8412	3.1225	4.1600	4.1600	2.5698	2.5698
H7	2.1833	2.7627	1.0972	2.8269	3.1225	3.8412		2.1127	1.7757	1.7757	3.5634	3.5634
H8	2.7627	2.1833	2.8269	1.0972	3.8412	3.1225	2.1127		3.5634	3.5634	1.7757	1.7757
H9	2.1679	3.2906	1.1005	3.9654	2.5698	4.1600	1.7757	3.5634		1.7725	4.8528	4.5175
H10	2.1679	3.2906	1.1005	3.9654	2.5698	4.1600	1.7757	3.5634	1.7725		4.5175	4.8528
H11	3.2906	2.1679	3.9654	1.1005	4.1600	2.5698	3.5634	1.7757	4.8528	4.5175		1.7725
H12	3.2906	2.1679	3.9654	1.1005	4.1600	2.5698	3.5634	1.7757	4.5175	4.8528	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.698	C1	C2	H6	117.566
C1	C3	H7	112.218	C1	C3	H9	110.775
C1	C3	H10	110.775	C2	C1	C3	127.698
C2	C1	H5	117.566	C2	C4	H8	112.218
C2	C4	H11	110.775	C2	C4	H12	110.775
C3	C1	H5	114.736	C4	C2	H6	114.736
H7	C3	H9	107.798	H7	C3	H10	107.798
H8	C4	H11	107.798	H8	C4	H12	107.798
H9	C3	H10	107.279	H11	C4	H12	107.279

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: MP2=FULL/6-31G

States and conformations

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