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	hartrees
Energy at 0K	-157.153616
Energy at 298.15K	-157.161238
Nuclear repulsion energy	117.818629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3032	72.18
2	A	3141	3011	6.63
3	A	3043	2917	15.03
4	A	1760	1687	4.65
5	A	1504	1442	6.93
6	A	1420	1362	7.69
7	A	1296	1242	0.05
8	A	1022	980	0.51
9	A	879	843	0.61
10	A	263	252	0.00
11	A	3089	2961	0.00
12	A	1494	1432	0.00
13	A	1060	1016	0.00
14	A	1004	963	0.00
15	A	395	378	0.00
16	A	124	119	0.00
17	A	3089	2962	53.32
18	A	1499	1437	16.13
19	A	1063	1019	2.55
20	A	694	665	45.36
21	A	117	113	0.95
22	A	3143	3013	27.16
23	A	3125	2996	1.66
24	A	3040	2914	47.47
25	A	1500	1438	5.58
26	A	1446	1387	10.70
27	A	1391	1334	1.61
28	A	1159	1111	0.44
29	A	992	951	16.43
30	A	562	539	7.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.666	0.661
C2	0.000	-0.666	0.661
C3	0.000	1.582	-0.519
C4	0.000	-1.582	-0.519
H5	0.000	1.163	1.628
H6	0.000	-1.163	1.628
H7	0.000	1.054	-1.472
H8	0.000	-1.054	-1.472
H9	-0.876	2.237	-0.503
H10	0.876	2.237	-0.503
H11	0.876	-2.237	-0.503
H12	-0.876	-2.237	-0.503

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3313	1.4937	2.5384	1.0879	2.0687	2.1672	2.7392	2.1426	2.1426	3.2477	3.2477
C2	1.3313		2.5384	1.4937	2.0687	1.0879	2.7392	2.1672	3.2477	3.2477	2.1426	2.1426
C3	1.4937	2.5384		3.1639	2.1879	3.4848	1.0891	2.8027	1.0939	1.0939	3.9183	3.9183
C4	2.5384	1.4937	3.1639		3.4848	2.1879	2.8027	1.0891	3.9183	3.9183	1.0939	1.0939
H5	1.0879	2.0687	2.1879	3.4848		2.3253	3.1019	3.8109	2.5426	2.5426	4.1072	4.1072
H6	2.0687	1.0879	3.4848	2.1879	2.3253		3.8109	3.1019	4.1072	4.1072	2.5426	2.5426
H7	2.1672	2.7392	1.0891	2.8027	3.1019	3.8109		2.1078	1.7622	1.7622	3.5407	3.5407
H8	2.7392	2.1672	2.8027	1.0891	3.8109	3.1019	2.1078		3.5407	3.5407	1.7622	1.7622
H9	2.1426	3.2477	1.0939	3.9183	2.5426	4.1072	1.7622	3.5407		1.7517	4.8050	4.4744
H10	2.1426	3.2477	1.0939	3.9183	2.5426	4.1072	1.7622	3.5407	1.7517		4.4744	4.8050
H11	3.2477	2.1426	3.9183	1.0939	4.1072	2.5426	3.5407	1.7622	4.8050	4.4744		1.7517
H12	3.2477	2.1426	3.9183	1.0939	4.1072	2.5426	3.5407	1.7622	4.4744	4.8050	1.7517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.840	C1	C2	H6	117.182
C1	C3	H7	113.159	C1	C3	H9	110.851
C1	C3	H10	110.851	C2	C1	C3	127.840
C2	C1	H5	117.182	C2	C4	H8	113.159
C2	C4	H11	110.851	C2	C4	H12	110.851
C3	C1	H5	114.979	C4	C2	H6	114.979
H7	C3	H9	107.645	H7	C3	H10	107.645
H8	C4	H11	107.645	H8	C4	H12	107.645
H9	C3	H10	106.383	H11	C4	H12	106.383

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

using model chemistry: B1B95/6-311G*

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	-0.181
2	C	-0.181
3	C	-0.686
4	C	-0.686
5	H	0.193
6	H	0.193
7	H	0.221
8	H	0.221
9	H	0.226
10	H	0.226
11	H	0.226
12	H	0.226

<r²>	98.686
(<r²>)^1/2	9.934

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

using model chemistry: B1B95/6-311G*

States and conformations

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