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	hartrees
Energy at 0K	-157.165688
Energy at 298.15K	-157.173392
Nuclear repulsion energy	117.362381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3035	65.74
2	A	3150	3014	7.00
3	A	3045	2913	13.47
4	A	1764	1688	3.50
5	A	1521	1455	6.35
6	A	1441	1378	4.71
7	A	1305	1248	0.08
8	A	1035	990	0.75
9	A	884	846	0.58
10	A	288	276	0.00
11	A	3095	2961	0.00
12	A	1505	1440	0.00
13	A	1065	1019	0.00
14	A	1010	966	0.00
15	A	395	378	0.00
16	A	145	139	0.00
17	A	3095	2961	47.77
18	A	1510	1445	12.33
19	A	1074	1028	0.82
20	A	699	669	38.20
21	A	129	123	1.03
22	A	3153	3016	22.02
23	A	3136	3000	1.54
24	A	3042	2911	45.55
25	A	1513	1447	3.39
26	A	1458	1395	8.14
27	A	1405	1345	3.18
28	A	1168	1117	1.10
29	A	997	954	15.61
30	A	569	544	7.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.662
C2	0.000	-0.669	0.662
C3	0.000	1.589	-0.520
C4	0.000	-1.589	-0.520
H5	0.000	1.168	1.632
H6	0.000	-1.168	1.632
H7	0.000	1.057	-1.475
H8	0.000	-1.057	-1.475
H9	-0.880	2.247	-0.504
H10	0.880	2.247	-0.504
H11	0.880	-2.247	-0.504
H12	-0.880	-2.247	-0.504

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3379	1.4986	2.5493	1.0910	2.0775	2.1725	2.7474	2.1503	2.1503	3.2612	3.2612
C2	1.3379		2.5493	1.4986	2.0775	1.0910	2.7474	2.1725	3.2612	3.2612	2.1503	2.1503
C3	1.4986	2.5493		3.1790	2.1935	3.4983	1.0935	2.8135	1.0984	1.0984	3.9359	3.9359
C4	2.5493	1.4986	3.1790		3.4983	2.1935	2.8135	1.0935	3.9359	3.9359	1.0984	1.0984
H5	1.0910	2.0775	2.1935	3.4983		2.3362	3.1097	3.8221	2.5498	2.5498	4.1230	4.1230
H6	2.0775	1.0910	3.4983	2.1935	2.3362		3.8221	3.1097	4.1230	4.1230	2.5498	2.5498
H7	2.1725	2.7474	1.0935	2.8135	3.1097	3.8221		2.1140	1.7701	1.7701	3.5542	3.5542
H8	2.7474	2.1725	2.8135	1.0935	3.8221	3.1097	2.1140		3.5542	3.5542	1.7701	1.7701
H9	2.1503	3.2612	1.0984	3.9359	2.5498	4.1230	1.7701	3.5542		1.7599	4.8258	4.4934
H10	2.1503	3.2612	1.0984	3.9359	2.5498	4.1230	1.7701	3.5542	1.7599		4.4934	4.8258
H11	3.2612	2.1503	3.9359	1.0984	4.1230	2.5498	3.5542	1.7701	4.8258	4.4934		1.7599
H12	3.2612	2.1503	3.9359	1.0984	4.1230	2.5498	3.5542	1.7701	4.4934	4.8258	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.899	C1	C2	H6	117.226
C1	C3	H7	112.959	C1	C3	H9	110.843
C1	C3	H10	110.843	C2	C1	C3	127.899
C2	C1	H5	117.226	C2	C4	H8	112.959
C2	C4	H11	110.843	C2	C4	H12	110.843
C3	C1	H5	114.876	C4	C2	H6	114.876
H7	C3	H9	107.720	H7	C3	H10	107.720
H8	C4	H11	107.720	H8	C4	H12	107.720
H9	C3	H10	106.473	H11	C4	H12	106.473

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	ESP
1	C	-0.556	-0.165
2	H	0.178	-0.165
3	H	0.178	-0.127
4	H	0.174	-0.127
5	C	-0.556	0.106
6	H	0.178	0.106
7	H	0.178	0.068
8	H	0.174	0.068
9	C	-0.122	0.058
10	H	0.148	0.060
11	C	-0.122	0.060
12	H	0.148	0.058

	x	y	z	Total
	0.000	-0.183	0.000	0.183
CHELPG
AIM
ESP	0.019	0.000	-0.274	0.275

<r²>	99.271
(<r²>)^1/2	9.963

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)-)