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	hartrees
Energy at 0K	-156.327335
Energy at 298.15K	-156.335027
Nuclear repulsion energy	117.897455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3041	43.48
2	A	3074	3017	6.52
3	A	2976	2920	13.21
4	A	1740	1707	3.64
5	A	1458	1431	9.74
6	A	1378	1352	10.40
7	A	1252	1229	0.16
8	A	1010	991	0.47
9	A	884	868	1.19
10	A	304	298	0.00
11	A	3033	2976	0.00
12	A	1437	1410	0.00
13	A	1020	1000	0.00
14	A	968	950	0.00
15	A	389	381	0.00
16	A	170	166	0.00
17	A	3033	2977	25.23
18	A	1442	1415	16.44
19	A	1027	1007	0.05
20	A	672	659	40.81
21	A	137	134	1.68
22	A	3083	3026	12.85
23	A	3067	3010	1.51
24	A	2974	2919	27.24
25	A	1447	1420	2.99
26	A	1405	1379	15.03
27	A	1338	1313	0.21
28	A	1136	1115	1.53
29	A	987	969	23.05
30	A	554	544	10.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.666
C2	0.000	-0.669	0.666
C3	0.000	1.559	-0.520
C4	0.000	-1.559	-0.520
H5	0.000	1.177	1.641
H6	0.000	-1.177	1.641
H7	0.000	1.000	-1.471
H8	0.000	-1.000	-1.471
H9	-0.884	2.224	-0.523
H10	0.884	2.224	-0.523
H11	0.884	-2.224	-0.523
H12	-0.884	-2.224	-0.523

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3385	1.4826	2.5243	1.0995	2.0882	2.1620	2.7114	2.1480	2.1480	3.2509	3.2509
C2	1.3385		2.5243	1.4826	2.0882	1.0995	2.7114	2.1620	3.2509	3.2509	2.1480	2.1480
C3	1.4826	2.5243		3.1183	2.1943	3.4868	1.1029	2.7302	1.1063	1.1063	3.8853	3.8853
C4	2.5243	1.4826	3.1183		3.4868	2.1943	2.7302	1.1029	3.8853	3.8853	1.1063	1.1063
H5	1.0995	2.0882	2.1943	3.4868		2.3547	3.1166	3.7978	2.5616	2.5616	4.1275	4.1275
H6	2.0882	1.0995	3.4868	2.1943	2.3547		3.7978	3.1166	4.1275	4.1275	2.5616	2.5616
H7	2.1620	2.7114	1.1029	2.7302	3.1166	3.7978		2.0003	1.7825	1.7825	3.4750	3.4750
H8	2.7114	2.1620	2.7302	1.1029	3.7978	3.1166	2.0003		3.4750	3.4750	1.7825	1.7825
H9	2.1480	3.2509	1.1063	3.8853	2.5616	4.1275	1.7825	3.4750		1.7682	4.7870	4.4484
H10	2.1480	3.2509	1.1063	3.8853	2.5616	4.1275	1.7825	3.4750	1.7682		4.4484	4.7870
H11	3.2509	2.1480	3.8853	1.1063	4.1275	2.5616	3.4750	1.7825	4.7870	4.4484		1.7682
H12	3.2509	2.1480	3.8853	1.1063	4.1275	2.5616	3.4750	1.7825	4.4484	4.7870	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	126.888	C1	C2	H6	117.524
C1	C3	H7	112.657	C1	C3	H9	111.306
C1	C3	H10	111.306	C2	C1	C3	126.888
C2	C1	H5	117.524	C2	C4	H8	112.657
C2	C4	H11	111.306	C2	C4	H12	111.306
C3	C1	H5	115.588	C4	C2	H6	115.588
H7	C3	H9	107.577	H7	C3	H10	107.577
H8	C4	H11	107.577	H8	C4	H12	107.577
H9	C3	H10	106.094	H11	C4	H12	106.094

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.100
2	C	-0.100
3	C	-0.590
4	C	-0.590
5	H	0.141
6	H	0.141
7	H	0.175
8	H	0.175
9	H	0.187
10	H	0.187
11	H	0.187
12	H	0.187

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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