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	hartrees
Energy at 0K	-26.515787
Energy at 298.15K	-26.523635
Nuclear repulsion energy	66.110564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3358	3027	128.07
2	A	3324	2996	33.94
3	A	3205	2889	24.97
4	A	1874	1689	4.13
5	A	1633	1472	9.32
6	A	1572	1417	5.27
7	A	1398	1260	0.38
8	A	1121	1010	1.16
9	A	926	835	1.42
10	A	310	279	0.07
11	A	3259	2937	0.00
12	A	1621	1461	0.00
13	A	1182	1066	0.00
14	A	1114	1004	0.00
15	A	414	374	0.00
16	A	112	101	0.00
17	A	3260	2939	149.59
18	A	1627	1467	19.84
19	A	1180	1064	7.33
20	A	779	702	70.84
21	A	114	102	0.94
22	A	3317	2990	52.84
23	A	3299	2974	8.44
24	A	3200	2885	107.26
25	A	1626	1466	8.76
26	A	1577	1421	2.95
27	A	1530	1379	3.55
28	A	1264	1139	0.38
29	A	1057	953	10.50
30	A	602	543	6.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.678	0.699
C2	0.000	-0.678	0.699
C3	0.000	1.608	-0.507
C4	0.000	-1.608	-0.507
H5	0.000	1.175	1.660
H6	0.000	-1.175	1.660
H7	0.000	1.075	-1.454
H8	0.000	-1.075	-1.454
H9	-0.879	2.256	-0.486
H10	0.879	2.256	-0.486
H11	0.879	-2.256	-0.486
H12	-0.879	-2.256	-0.486

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3556	1.5225	2.5840	1.0828	2.0878	2.1887	2.7756	2.1603	2.1603	3.2838	3.2838
C2	1.3556		2.5840	1.5225	2.0878	1.0828	2.7756	2.1887	3.2838	3.2838	2.1603	2.1603
C3	1.5225	2.5840		3.2153	2.2101	3.5274	1.0866	2.8444	1.0923	1.0923	3.9623	3.9623
C4	2.5840	1.5225	3.2153		3.5274	2.2101	2.8444	1.0866	3.9623	3.9623	1.0923	1.0923
H5	1.0828	2.0878	2.2101	3.5274		2.3506	3.1159	3.8419	2.5590	2.5590	4.1418	4.1418
H6	2.0878	1.0828	3.5274	2.2101	2.3506		3.8419	3.1159	4.1418	4.1418	2.5590	2.5590
H7	2.1887	2.7756	1.0866	2.8444	3.1159	3.8419		2.1492	1.7618	1.7618	3.5778	3.5778
H8	2.7756	2.1887	2.8444	1.0866	3.8419	3.1159	2.1492		3.5778	3.5778	1.7618	1.7618
H9	2.1603	3.2838	1.0923	3.9623	2.5590	4.1418	1.7618	3.5778		1.7576	4.8421	4.5119
H10	2.1603	3.2838	1.0923	3.9623	2.5590	4.1418	1.7618	3.5778	1.7576		4.5119	4.8421
H11	3.2838	2.1603	3.9623	1.0923	4.1418	2.5590	3.5778	1.7618	4.8421	4.5119		1.7576
H12	3.2838	2.1603	3.9623	1.0923	4.1418	2.5590	3.5778	1.7618	4.5119	4.8421	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.641	C1	C2	H6	117.350
C1	C3	H7	112.980	C1	C3	H9	110.335
C1	C3	H10	110.335	C2	C1	C3	127.641
C2	C1	H5	117.350	C2	C4	H8	112.980
C2	C4	H11	110.335	C2	C4	H12	110.335
C3	C1	H5	115.009	C4	C2	H6	115.009
H7	C3	H9	107.919	H7	C3	H10	107.919
H8	C4	H11	107.919	H8	C4	H12	107.919
H9	C3	H10	107.139	H11	C4	H12	107.139

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.211
2	C	-0.211
3	C	-0.308
4	C	-0.308
5	H	0.188
6	H	0.188
7	H	0.119
8	H	0.119
9	H	0.106
10	H	0.106
11	H	0.106
12	H	0.106

<r²>	86.104
(<r²>)^1/2	9.279

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

using model chemistry: HF/CEP-31G

States and conformations

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