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	hartrees
Energy at 0K	-157.283875
Energy at 298.15K	-157.291575
HF Energy	-157.283875
Nuclear repulsion energy	117.559642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3036	54.61
2	A	3116	3008	13.29
3	A	3021	2916	12.31
4	A	1731	1671	5.51
5	A	1499	1447	6.41
6	A	1424	1375	4.91
7	A	1300	1255	0.10
8	A	1027	992	0.75
9	A	868	838	0.40
10	A	286	276	0.01
11	A	3057	2951	0.00
12	A	1486	1434	0.00
13	A	1068	1031	0.00
14	A	1009	974	0.00
15	A	399	385	0.00
16	A	133	128	0.00
17	A	3058	2952	44.16
18	A	1490	1438	14.44
19	A	1068	1031	4.59
20	A	699	675	43.16
21	A	121	117	1.20
22	A	3123	3015	15.34
23	A	3102	2994	5.58
24	A	3019	2914	45.67
25	A	1493	1441	4.98
26	A	1443	1393	10.46
27	A	1398	1350	1.13
28	A	1158	1118	0.35
29	A	980	946	16.36
30	A	573	553	6.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.666	0.662
C2	0.000	-0.666	0.662
C3	0.000	1.588	-0.521
C4	0.000	-1.588	-0.521
H5	0.000	1.164	1.629
H6	0.000	-1.164	1.629
H7	0.000	1.058	-1.473
H8	0.000	-1.058	-1.473
H9	-0.877	2.243	-0.502
H10	0.877	2.243	-0.502
H11	0.877	-2.243	-0.502
H12	-0.877	-2.243	-0.502

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3329	1.4997	2.5460	1.0872	2.0698	2.1710	2.7449	2.1470	2.1470	3.2539	3.2539
C2	1.3329		2.5460	1.4997	2.0698	1.0872	2.7449	2.1710	3.2539	3.2539	2.1470	2.1470
C3	1.4997	2.5460		3.1760	2.1915	3.4920	1.0896	2.8124	1.0946	1.0946	3.9297	3.9297
C4	2.5460	1.4997	3.1760		3.4920	2.1915	2.8124	1.0896	3.9297	3.9297	1.0946	1.0946
H5	1.0872	2.0698	2.1915	3.4920		2.3272	3.1040	3.8159	2.5449	2.5449	4.1127	4.1127
H6	2.0698	1.0872	3.4920	2.1915	2.3272		3.8159	3.1040	4.1127	4.1127	2.5449	2.5449
H7	2.1710	2.7449	1.0896	2.8124	3.1040	3.8159		2.1167	1.7647	1.7647	3.5507	3.5507
H8	2.7449	2.1710	2.8124	1.0896	3.8159	3.1040	2.1167		3.5507	3.5507	1.7647	1.7647
H9	2.1470	3.2539	1.0946	3.9297	2.5449	4.1127	1.7647	3.5507		1.7543	4.8160	4.4851
H10	2.1470	3.2539	1.0946	3.9297	2.5449	4.1127	1.7647	3.5507	1.7543		4.4851	4.8160
H11	3.2539	2.1470	3.9297	1.0946	4.1127	2.5449	3.5507	1.7647	4.8160	4.4851		1.7543
H12	3.2539	2.1470	3.9297	1.0946	4.1127	2.5449	3.5507	1.7647	4.4851	4.8160	1.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.915	C1	C2	H6	117.213
C1	C3	H7	113.000	C1	C3	H9	110.737
C1	C3	H10	110.737	C2	C1	C3	127.915
C2	C1	H5	117.213	C2	C4	H8	113.000
C2	C4	H11	110.737	C2	C4	H12	110.737
C3	C1	H5	114.873	C4	C2	H6	114.873
H7	C3	H9	107.788	H7	C3	H10	107.788
H8	C4	H11	107.788	H8	C4	H12	107.788
H9	C3	H10	106.515	H11	C4	H12	106.515

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

using model chemistry: B3LYP/TZVP

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	-0.109
2	C	-0.109
3	C	-0.367
4	C	-0.367
5	H	0.115
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.123
10	H	0.123
11	H	0.123
12	H	0.123

<r²>	99.623
(<r²>)^1/2	9.981

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

using model chemistry: B3LYP/TZVP

States and conformations

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