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	hartrees
Energy at 0K	-26.528012
Energy at 298.15K	-26.535924
Nuclear repulsion energy	66.385176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3013	93.01
2	A	3265	2980	24.27
3	A	3144	2869	24.19
4	A	1846	1684	5.27
5	A	1637	1494	7.57
6	A	1567	1430	6.57
7	A	1400	1278	0.41
8	A	1117	1020	0.96
9	A	916	836	1.32
10	A	305	278	0.05
11	A	3205	2924	0.00
12	A	1626	1484	0.00
13	A	1186	1083	0.00
14	A	1113	1016	0.00
15	A	428	391	0.00
16	A	120	110	0.00
17	A	3206	2925	104.10
18	A	1631	1489	17.09
19	A	1179	1076	9.06
20	A	772	705	58.05
21	A	117	107	0.95
22	A	3268	2982	29.28
23	A	3244	2960	17.56
24	A	3139	2865	83.53
25	A	1631	1488	7.54
26	A	1571	1434	3.79
27	A	1530	1396	3.03
28	A	1263	1152	0.35
29	A	1051	959	9.55
30	A	611	558	5.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.692
C2	0.000	-0.671	0.692
C3	0.000	1.606	-0.502
C4	0.000	-1.606	-0.502
H5	0.000	1.166	1.652
H6	0.000	-1.166	1.652
H7	0.000	1.080	-1.450
H8	0.000	-1.080	-1.450
H9	-0.876	2.252	-0.479
H10	0.876	2.252	-0.479
H11	0.876	-2.252	-0.479
H12	-0.876	-2.252	-0.479

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3422	1.5166	2.5713	1.0801	2.0726	2.1800	2.7664	2.1534	2.1534	3.2684	3.2684
C2	1.3422		2.5713	1.5166	2.0726	1.0801	2.7664	2.1800	3.2684	3.2684	2.1534	2.1534
C3	1.5166	2.5713		3.2124	2.1988	3.5106	1.0834	2.8488	1.0883	1.0883	3.9566	3.9566
C4	2.5713	1.5166	3.2124		3.5106	2.1988	2.8488	1.0834	3.9566	3.9566	1.0883	1.0883
H5	1.0801	2.0726	2.1988	3.5106		2.3313	3.1027	3.8294	2.5472	2.5472	4.1218	4.1218
H6	2.0726	1.0801	3.5106	2.1988	2.3313		3.8294	3.1027	4.1218	4.1218	2.5472	2.5472
H7	2.1800	2.7664	1.0834	2.8488	3.1027	3.8294		2.1609	1.7554	1.7554	3.5798	3.5798
H8	2.7664	2.1800	2.8488	1.0834	3.8294	3.1027	2.1609		3.5798	3.5798	1.7554	1.7554
H9	2.1534	3.2684	1.0883	3.9566	2.5472	4.1218	1.7554	3.5798		1.7512	4.8328	4.5043
H10	2.1534	3.2684	1.0883	3.9566	2.5472	4.1218	1.7554	3.5798	1.7512		4.5043	4.8328
H11	3.2684	2.1534	3.9566	1.0883	4.1218	2.5472	3.5798	1.7554	4.8328	4.5043		1.7512
H12	3.2684	2.1534	3.9566	1.0883	4.1218	2.5472	3.5798	1.7554	4.5043	4.8328	1.7512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	128.068	C1	C2	H6	117.249
C1	C3	H7	112.901	C1	C3	H9	110.434
C1	C3	H10	110.434	C2	C1	C3	128.068
C2	C1	H5	117.249	C2	C4	H8	112.901
C2	C4	H11	110.434	C2	C4	H12	110.434
C3	C1	H5	114.683	C4	C2	H6	114.683
H7	C3	H9	107.862	H7	C3	H10	107.862
H8	C4	H11	107.862	H8	C4	H12	107.862
H9	C3	H10	107.131	H11	C4	H12	107.131

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

using model chemistry: HF/CEP-121G

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	-0.045
2	C	-0.045
3	C	-0.547
4	C	-0.547
5	H	0.138
6	H	0.138
7	H	0.151
8	H	0.151
9	H	0.151
10	H	0.151
11	H	0.151
12	H	0.151

<r²>	85.793
(<r²>)^1/2	9.262

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

using model chemistry: HF/CEP-121G

States and conformations

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