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	hartrees
Energy at 0K	-607.859533
Energy at 298.15K	-607.866093
Nuclear repulsion energy	212.390786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3466	3104	7.70
2	A'	3464	3102	1.51
3	A'	3415	3058	19.72
4	A'	3285	2941	1.26
5	A'	3281	2938	0.22
6	A'	1857	1663	10.58
7	A'	1622	1452	13.16
8	A'	1615	1446	0.17
9	A'	1511	1354	2.43
10	A'	1505	1347	7.84
11	A'	1367	1224	36.30
12	A'	1249	1118	26.87
13	A'	1186	1062	1.21
14	A'	1087	973	29.95
15	A'	974	872	16.63
16	A'	674	604	13.27
17	A'	533	477	0.82
18	A'	321	287	0.95
19	A'	225	201	2.85
20	A"	3438	3078	1.72
21	A"	3429	3071	0.62
22	A"	1622	1452	10.58
23	A"	1601	1434	9.55
24	A"	1129	1011	9.28
25	A"	1113	997	1.27
26	A"	850	761	8.57
27	A"	462	414	0.03
28	A"	241	216	2.45
29	A"	169	152	0.57
30	A"	155	139	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.240	2.683	0.000
Cl2	-1.247	-0.744	0.000
C3	1.845	-1.178	0.000
C4	-0.579	1.947	0.000
H5	-1.209	2.109	0.892
H6	-1.209	2.109	-0.892
C7	0.000	0.553	0.000
C8	1.302	0.225	0.000
H9	2.024	1.057	0.000
H10	1.006	-1.891	0.000
H11	2.473	-1.354	-0.890
H12	2.473	-1.354	0.890

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7357	4.1813	1.1011	1.7952	1.7952	2.1431	2.6774	2.4142	4.6378	4.6988	4.6988
Cl2	3.7357		3.1227	2.7725	2.9890	2.9890	1.7997	2.7275	3.7345	2.5289	3.8735	3.8735
C3	4.1813	3.1227		3.9547	4.5740	4.5740	2.5300	1.5046	2.2420	1.1008	1.1036	1.1036
C4	1.1011	2.7725	3.9547		1.1035	1.1035	1.5090	2.5499	2.7512	4.1524	4.5830	4.5830
H5	1.7952	2.9890	4.5740	1.1035		1.7836	2.1622	3.2628	3.5146	4.6582	5.3592	5.0541
H6	1.7952	2.9890	4.5740	1.1035	1.7836		2.1622	3.2628	3.5146	4.6582	5.0541	5.3592
C7	2.1431	1.7997	2.5300	1.5090	2.1622	2.1622		1.3427	2.0859	2.6434	3.2475	3.2475
C8	2.6774	2.7275	1.5046	2.5499	3.2628	3.2628	1.3427		1.1014	2.1368	2.1584	2.1584
H9	2.4142	3.7345	2.2420	2.7512	3.5146	3.5146	2.0859	1.1014		3.1187	2.6093	2.6093
H10	4.6378	2.5289	1.1008	4.1524	4.6582	4.6582	2.6434	2.1368	3.1187		1.7974	1.7974
H11	4.6988	3.8735	1.1036	4.5830	5.3592	5.0541	3.2475	2.1584	2.6093	1.7974		1.7809
H12	4.6988	3.8735	1.1036	4.5830	5.0541	5.3592	3.2475	2.1584	2.6093	1.7974	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	109.033	H1	C4	H6	109.033
H1	C4	C7	109.391	Cl2	C7	C4	113.556
Cl2	C7	C8	119.738	C3	C8	C7	125.293
C3	C8	H9	117.877	C4	C7	C8	126.707
H5	C4	H6	107.829	H5	C4	C7	110.756
H6	C4	C7	110.756	C7	C8	H9	116.830
C8	C3	H10	109.224	C8	C3	H11	110.755
C8	C3	H12	110.755	H10	C3	H11	109.247
H10	C3	H12	109.247	H11	C3	H12	107.576

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

using model chemistry: LSDA/STO-3G

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	0.111
2	Cl	-0.135
3	C	-0.284
4	C	-0.279
5	H	0.116
6	H	0.116
7	C	0.016
8	C	-0.098
9	H	0.105
10	H	0.116
11	H	0.107
12	H	0.107

	x	y	z	Total
	1.483	1.452	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	5.923	-0.158	0.000
y	-0.158	4.521	0.000
z	0.000	0.000	1.995

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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