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	hartrees
Energy at 0K	-157.058241
Energy at 298.15K	-157.051688
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3034	69.39
2	A	3136	3012	8.99
3	A	3035	2915	12.08
4	A	1755	1685	3.11
5	A	1527	1466	4.85
6	A	1448	1391	2.61
7	A	1307	1255	0.04
8	A	1036	995	0.83
9	A	877	842	0.41
10	A	290	279	0.00
11	A	3075	2953	0.00
12	A	1512	1452	0.00
13	A	1070	1028	0.00
14	A	1012	972	0.00
15	A	395	380	0.00
16	A	149	143	0.00
17	A	3076	2954	55.79
18	A	1516	1456	9.98
19	A	1081	1038	0.95
20	A	700	672	32.12
21	A	131	125	0.89
22	A	3138	3014	22.39
23	A	3121	2997	3.98
24	A	3032	2912	49.88
25	A	1519	1459	2.42
26	A	1461	1403	6.47
27	A	1414	1358	5.09
28	A	1170	1123	1.17
29	A	990	951	13.50
30	A	571	548	6.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.664
C2	0.000	-0.669	0.664
C3	0.000	1.593	-0.522
C4	0.000	-1.593	-0.522
H5	0.000	1.169	1.633
H6	0.000	-1.169	1.633
H7	0.000	1.061	-1.477
H8	0.000	-1.061	-1.477
H9	-0.880	2.251	-0.505
H10	0.880	2.251	-0.505
H11	0.880	-2.251	-0.505
H12	-0.880	-2.251	-0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3384	1.5034	2.5545	1.0907	2.0785	2.1765	2.7528	2.1547	2.1547	3.2661	3.2661
C2	1.3384		2.5545	1.5034	2.0785	1.0907	2.7528	2.1765	3.2661	3.2661	2.1547	2.1547
C3	1.5034	2.5545		3.1869	2.1963	3.5040	1.0934	2.8212	1.0986	1.0986	3.9437	3.9437
C4	2.5545	1.5034	3.1869		3.5040	2.1963	2.8212	1.0934	3.9437	3.9437	1.0986	1.0986
H5	1.0907	2.0785	2.1963	3.5040		2.3389	3.1121	3.8274	2.5527	2.5527	4.1286	4.1286
H6	2.0785	1.0907	3.5040	2.1963	2.3389		3.8274	3.1121	4.1286	4.1286	2.5527	2.5527
H7	2.1765	2.7528	1.0934	2.8212	3.1121	3.8274		2.1224	1.7704	1.7704	3.5621	3.5621
H8	2.7528	2.1765	2.8212	1.0934	3.8274	3.1121	2.1224		3.5621	3.5621	1.7704	1.7704
H9	2.1547	3.2661	1.0986	3.9437	2.5527	4.1286	1.7704	3.5621		1.7601	4.8335	4.5016
H10	2.1547	3.2661	1.0986	3.9437	2.5527	4.1286	1.7704	3.5621	1.7601		4.5016	4.8335
H11	3.2661	2.1547	3.9437	1.0986	4.1286	2.5527	3.5621	1.7704	4.8335	4.5016		1.7601
H12	3.2661	2.1547	3.9437	1.0986	4.1286	2.5527	3.5621	1.7704	4.5016	4.8335	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.935	C1	C2	H6	117.301
C1	C3	H7	112.938	C1	C3	H9	110.845
C1	C3	H10	110.845	C2	C1	C3	127.935
C2	C1	H5	117.301	C2	C4	H8	112.938
C2	C4	H11	110.845	C2	C4	H12	110.845
C3	C1	H5	114.764	C4	C2	H6	114.764
H7	C3	H9	107.731	H7	C3	H10	107.731
H8	C4	H11	107.731	H8	C4	H12	107.731
H9	C3	H10	106.467	H11	C4	H12	106.467

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

using model chemistry: G3B3

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	CHELPG	ESP
1	C	-0.488	0.102	-0.155
2	H	0.154	-0.006	-0.155
3	H	0.154	-0.006	-0.091
4	H	0.152	0.002	-0.091
5	C	-0.488	0.102	0.097
6	H	0.154	-0.006	0.097
7	H	0.154	-0.006	0.056
8	H	0.152	0.002	0.056
9	C	-0.091	-0.186	0.046
10	H	0.118	0.093	0.048
11	C	-0.091	-0.186	0.048
12	H	0.118	0.093	0.046

	x	y	z	Total
	0.000	-0.179	0.000	0.179
CHELPG	0.000	-0.215	0.001	0.215
AIM
ESP	0.018	0.000	-0.259	0.260

<r²>	99.736
(<r²>)^1/2	9.987

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

using model chemistry: G3B3

States and conformations

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