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	hartrees
Energy at 0K	-171.546141
Energy at 298.15K	-171.552969
Nuclear repulsion energy	149.126645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3051	25.78
2	A'	3153	3031	10.40
3	A'	3143	3021	17.20
4	A'	3044	2926	23.99
5	A'	3038	2920	30.70
6	A'	1750	1682	16.51
7	A'	1519	1460	18.61
8	A'	1511	1453	3.59
9	A'	1447	1391	5.84
10	A'	1445	1389	16.40
11	A'	1332	1280	25.59
12	A'	1171	1126	29.43
13	A'	1114	1071	6.30
14	A'	1058	1017	24.80
15	A'	907	872	30.50
16	A'	559	537	30.59
17	A'	513	493	3.44
18	A'	331	318	1.08
19	A'	230	221	2.02
20	A"	3126	3005	20.13
21	A"	3104	2984	30.55
22	A"	1517	1458	14.70
23	A"	1496	1438	15.93
24	A"	1092	1049	5.30
25	A"	1080	1039	0.97
26	A"	844	811	23.11
27	A"	463	445	2.85
28	A"	249	239	3.70
29	A"	193	185	2.62
30	A"	115	110	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	1.589	1.933	0.000
Cl2	-1.848	0.395	0.000
C3	0.252	-2.068	0.000
C4	0.492	1.915	0.000
H5	0.133	2.455	0.885
H6	0.133	2.455	-0.885
C7	0.000	0.492	0.000
C8	0.730	-0.637	0.000
H9	1.813	-0.491	0.000
H10	-0.840	-2.130	0.000
H11	0.630	-2.599	-0.884
H12	0.630	-2.599	0.884

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7646	4.2177	1.0966	1.7818	1.7818	2.1446	2.7093	2.4339	4.7334	4.7159	4.7159
Cl2	3.7646		3.2363	2.7900	2.9915	2.9915	1.8503	2.7770	3.7665	2.7194	3.9863	3.9863
C3	4.2177	3.2363		3.9895	4.6097	4.6097	2.5719	1.5084	2.2188	1.0932	1.0991	1.0991
C4	1.0966	2.7900	3.9895		1.0973	1.0973	1.5054	2.5628	2.7443	4.2586	4.6019	4.6019
H5	1.7818	2.9915	4.6097	1.0973		1.7702	2.1573	3.2711	3.5047	4.7701	5.3780	5.0786
H6	1.7818	2.9915	4.6097	1.0973	1.7702		2.1573	3.2711	3.5047	4.7701	5.0786	5.3780
C7	2.1446	1.8503	2.5719	1.5054	2.1573	2.1573		1.3446	2.0623	2.7535	3.2765	3.2765
C8	2.7093	2.7770	1.5084	2.5628	3.2711	3.2711	1.3446		1.0926	2.1666	2.1547	2.1547
H9	2.4339	3.7665	2.2188	2.7443	3.5047	3.5047	2.0623	1.0926		3.1183	2.5742	2.5742
H10	4.7334	2.7194	1.0932	4.2586	4.7701	4.7701	2.7535	2.1666	3.1183		1.7783	1.7783
H11	4.7159	3.9863	1.0991	4.6019	5.3780	5.0786	3.2765	2.1547	2.5742	1.7783		1.7685
H12	4.7159	3.9863	1.0991	4.6019	5.0786	5.3780	3.2765	2.1547	2.5742	1.7783	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.610	H1	C4	H6	108.610
H1	C4	C7	110.023	Cl2	C7	C4	112.079
Cl2	C7	C8	119.899	C3	C8	C7	128.612
C3	C8	H9	116.181	C4	C7	C8	128.022
H5	C4	H6	107.531	H5	C4	C7	110.990
H6	C4	C7	110.990	C7	C8	H9	115.207
C8	C3	H10	111.788	C8	C3	H11	110.469
C8	C3	H12	110.469	H10	C3	H11	108.420
H10	C3	H12	108.420	H11	C3	H12	107.126

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

using model chemistry: B3LYP/LANL2DZ

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	0.208
2	Cl	-0.125
3	C	-0.666
4	C	-0.651
5	H	0.229
6	H	0.229
7	C	0.044
8	C	-0.138
9	H	0.211
10	H	0.234
11	H	0.213
12	H	0.213

	x	y	z	Total
	2.279	-0.011	0.000	2.279
CHELPG
AIM
ESP

	x	y	z
x	8.826	-1.023	0.000
y	-1.023	8.990	0.000
z	0.000	0.000	4.568

<r²>	149.232
(<r²>)^1/2	12.216

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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