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	hartrees
Energy at 0K	-615.103756
Energy at 298.15K	-615.110990
HF Energy	-615.103756
Nuclear repulsion energy	214.911076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	2986	25.68
2	A'	3273	2967	2.05
3	A'	3247	2943	19.61
4	A'	3170	2873	26.86
5	A'	3162	2866	37.65
6	A'	1883	1707	13.53
7	A'	1611	1461	7.75
8	A'	1602	1452	1.76
9	A'	1546	1401	1.58
10	A'	1539	1395	0.95
11	A'	1437	1303	26.20
12	A'	1262	1144	27.85
13	A'	1154	1046	2.70
14	A'	1133	1027	13.72
15	A'	971	880	31.16
16	A'	648	588	27.76
17	A'	562	509	0.14
18	A'	365	331	0.69
19	A'	252	228	1.47
20	A"	3225	2923	18.24
21	A"	3201	2902	28.27
22	A"	1606	1456	5.76
23	A"	1591	1442	8.53
24	A"	1174	1065	2.52
25	A"	1166	1057	0.87
26	A"	922	836	14.54
27	A"	526	477	2.21
28	A"	275	250	1.71
29	A"	214	194	1.31
30	A"	120	108	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.309	2.622	0.000
Cl2	-1.277	-0.681	0.000
C3	1.855	-1.204	0.000
C4	-0.514	1.921	0.000
H5	-1.127	2.104	0.874
H6	-1.127	2.104	-0.874
C7	0.000	0.517	0.000
C8	1.263	0.169	0.000
H9	1.959	0.990	0.000
H10	1.103	-1.976	0.000
H11	2.485	-1.341	-0.872
H12	2.485	-1.341	0.872

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6642	4.1262	1.0811	1.7591	1.7591	2.1267	2.6312	2.3205	4.6655	4.6038	4.6038
Cl2	3.6642		3.1758	2.7120	2.9229	2.9229	1.7517	2.6793	3.6421	2.7098	3.9182	3.9182
C3	4.1262	3.1758		3.9218	4.5387	4.5387	2.5308	1.4956	2.1961	1.0775	1.0844	1.0844
C4	1.0811	2.7120	3.9218		1.0827	1.0827	1.4949	2.4956	2.6428	4.2193	4.5162	4.5162
H5	1.7591	2.9229	4.5387	1.0827		1.7472	2.1332	3.1968	3.3954	4.7310	5.2879	4.9915
H6	1.7591	2.9229	4.5387	1.0827	1.7472		2.1332	3.1968	3.3954	4.7310	4.9915	5.2879
C7	2.1267	1.7517	2.5308	1.4949	2.1332	2.1332		1.3104	2.0150	2.7265	3.2233	3.2233
C8	2.6312	2.6793	1.4956	2.4956	3.1968	3.1968	1.3104		1.0754	2.1513	2.1293	2.1293
H9	2.3205	3.6421	2.1961	2.6428	3.3954	3.3954	2.0150	1.0754		3.0864	2.5431	2.5431
H10	4.6655	2.7098	1.0775	4.2193	4.7310	4.7310	2.7265	2.1513	3.0864		1.7532	1.7532
H11	4.6038	3.9182	1.0844	4.5162	5.2879	4.9915	3.2233	2.1293	2.5431	1.7532		1.7437
H12	4.6038	3.9182	1.0844	4.5162	4.9915	5.2879	3.2233	2.1293	2.5431	1.7532	1.7437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.772	H1	C4	H6	108.772
H1	C4	C7	110.264	Cl2	C7	C4	113.062
Cl2	C7	C8	121.414	C3	C8	C7	128.712
C3	C8	H9	116.387	C4	C7	C8	125.523
H5	C4	H6	107.581	H5	C4	C7	110.688
H6	C4	C7	110.688	C7	C8	H9	114.900
C8	C3	H10	112.439	C8	C3	H11	110.221
C8	C3	H12	110.221	H10	C3	H11	108.379
H10	C3	H12	108.379	H11	C3	H12	107.027

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

using model chemistry: HF/Def2TZVPP

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	H	0.061
2	Cl	-0.154
3	C	-0.125
4	C	-0.126
5	H	0.072
6	H	0.072
7	C	0.038
8	C	-0.093
9	H	0.056
10	H	0.075
11	H	0.062
12	H	0.062

	x	y	z	Total
	1.460	1.130	0.000	1.846
CHELPG
AIM
ESP

	x	y	z
x	11.033	-0.592	0.000
y	-0.592	8.977	0.000
z	0.000	0.000	6.361

<r²>	171.468
(<r²>)^1/2	13.095

All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)