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	hartrees
Energy at 0K	-157.176685
Energy at 298.15K	-157.184386
Nuclear repulsion energy	117.442506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3039	60.80
2	A	3148	3018	7.52
3	A	3042	2915	14.02
4	A	1760	1687	3.65
5	A	1502	1440	5.96
6	A	1423	1363	4.62
7	A	1296	1242	0.06
8	A	1027	984	0.78
9	A	881	844	0.57
10	A	285	274	0.00
11	A	3096	2967	0.00
12	A	1487	1425	0.00
13	A	1056	1012	0.00
14	A	1008	966	0.00
15	A	395	378	0.00
16	A	144	138	0.00
17	A	3096	2967	45.28
18	A	1491	1429	11.53
19	A	1064	1020	0.93
20	A	697	668	36.71
21	A	128	123	1.07
22	A	3152	3021	20.10
23	A	3136	3005	1.77
24	A	3039	2913	43.32
25	A	1494	1432	2.71
26	A	1445	1385	8.90
27	A	1389	1331	2.56
28	A	1159	1111	0.82
29	A	993	951	16.21
30	A	568	544	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.663
C2	0.000	-0.669	0.663
C3	0.000	1.587	-0.521
C4	0.000	-1.587	-0.521
H5	0.000	1.167	1.632
H6	0.000	-1.167	1.632
H7	0.000	1.054	-1.474
H8	0.000	-1.054	-1.474
H9	-0.879	2.244	-0.505
H10	0.879	2.244	-0.505
H11	0.879	-2.244	-0.505
H12	-0.879	-2.244	-0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3376	1.4979	2.5476	1.0903	2.0763	2.1711	2.7447	2.1488	2.1488	3.2590	3.2590
C2	1.3376		2.5476	1.4979	2.0763	1.0903	2.7447	2.1711	3.2590	3.2590	2.1488	2.1488
C3	1.4979	2.5476		3.1748	2.1937	3.4960	1.0925	2.8083	1.0973	1.0973	3.9311	3.9311
C4	2.5476	1.4979	3.1748		3.4960	2.1937	2.8083	1.0925	3.9311	3.9311	1.0973	1.0973
H5	1.0903	2.0763	2.1937	3.4960		2.3340	3.1085	3.8188	2.5498	2.5498	4.1203	4.1203
H6	2.0763	1.0903	3.4960	2.1937	2.3340		3.8188	3.1085	4.1203	4.1203	2.5498	2.5498
H7	2.1711	2.7447	1.0925	2.8083	3.1085	3.8188		2.1082	1.7685	1.7685	3.5482	3.5482
H8	2.7447	2.1711	2.8083	1.0925	3.8188	3.1085	2.1082		3.5482	3.5482	1.7685	1.7685
H9	2.1488	3.2590	1.0973	3.9311	2.5498	4.1203	1.7685	3.5482		1.7578	4.8202	4.4882
H10	2.1488	3.2590	1.0973	3.9311	2.5498	4.1203	1.7685	3.5482	1.7578		4.4882	4.8202
H11	3.2590	2.1488	3.9311	1.0973	4.1203	2.5498	3.5482	1.7685	4.8202	4.4882		1.7578
H12	3.2590	2.1488	3.9311	1.0973	4.1203	2.5498	3.5482	1.7685	4.4882	4.8202	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.825	C1	C2	H6	117.190
C1	C3	H7	112.954	C1	C3	H9	110.846
C1	C3	H10	110.846	C2	C1	C3	127.825
C2	C1	H5	117.190	C2	C4	H8	112.954
C2	C4	H11	110.846	C2	C4	H12	110.846
C3	C1	H5	114.985	C4	C2	H6	114.985
H7	C3	H9	107.729	H7	C3	H10	107.729
H8	C4	H11	107.729	H8	C4	H12	107.729
H9	C3	H10	106.452	H11	C4	H12	106.452

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

using model chemistry: B3PW91/6-31G**

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	-0.425
2	C	-0.425
3	C	-0.095
4	C	-0.095
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140
9	H	0.131
10	H	0.131
11	H	0.109
12	H	0.109

<r²>	99.116
(<r²>)^1/2	9.956

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

using model chemistry: B3PW91/6-31G**

States and conformations

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