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	hartrees
Energy at 0K	-613.737487
Energy at 298.15K	-613.744420
Nuclear repulsion energy	211.805439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3044	7.49
2	A'	3169	3025	3.65
3	A'	3158	3015	6.66
4	A'	3075	2936	10.90
5	A'	3070	2931	14.88
6	A'	1787	1706	14.28
7	A'	1556	1485	15.49
8	A'	1547	1477	0.43
9	A'	1469	1402	10.35
10	A'	1466	1399	10.05
11	A'	1363	1301	31.12
12	A'	1189	1135	26.86
13	A'	1107	1057	5.71
14	A'	1082	1032	28.46
15	A'	922	880	33.02
16	A'	575	549	32.36
17	A'	525	501	3.25
18	A'	333	318	0.77
19	A'	243	232	1.81
20	A"	3144	3001	6.18
21	A"	3123	2982	12.28
22	A"	1558	1487	12.50
23	A"	1537	1467	14.69
24	A"	1117	1066	5.39
25	A"	1107	1057	0.61
26	A"	856	817	18.96
27	A"	467	446	2.80
28	A"	249	238	3.26
29	A"	194	186	2.43
30	A"	118	112	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.114	2.687	0.000
Cl2	-1.247	-0.796	0.000
C3	1.924	-1.084	0.000
C4	-0.650	1.904	0.000
H5	-1.282	2.025	0.886
H6	-1.282	2.025	-0.886
C7	0.000	0.563	0.000
C8	1.292	0.274	0.000
H9	1.969	1.128	0.000
H10	1.163	-1.866	0.000
H11	2.559	-1.209	-0.884
H12	2.559	-1.209	0.884

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7393	4.1827	1.0942	1.7814	1.7814	2.1277	2.6852	2.4232	4.6723	4.6842	4.6842
Cl2	3.7393		3.1835	2.7651	2.9567	2.9567	1.8437	2.7555	3.7471	2.6368	3.9293	3.9293
C3	4.1827	3.1835		3.9439	4.5528	4.5528	2.5320	1.4977	2.2120	1.0910	1.0963	1.0963
C4	1.0942	2.7651	3.9439		1.0948	1.0948	1.4911	2.5360	2.7319	4.1836	4.5582	4.5582
H5	1.7814	2.9567	4.5528	1.0948		1.7714	2.1373	3.2372	3.4872	4.6801	5.3246	5.0218
H6	1.7814	2.9567	4.5528	1.0948	1.7714		2.1373	3.2372	3.4872	4.6801	5.0218	5.3246
C7	2.1277	1.8437	2.5320	1.4911	2.1373	2.1373		1.3242	2.0485	2.6926	3.2359	3.2359
C8	2.6852	2.7555	1.4977	2.5360	3.2372	3.2372	1.3242		1.0890	2.1441	2.1419	2.1419
H9	2.4232	3.7471	2.2120	2.7319	3.4872	3.4872	2.0485	1.0890		3.1002	2.5674	2.5674
H10	4.6723	2.6368	1.0910	4.1836	4.6801	4.6801	2.6926	2.1441	3.1002		1.7785	1.7785
H11	4.6842	3.9293	1.0963	4.5582	5.3246	5.0218	3.2359	2.1419	2.5674	1.7785		1.7687
H12	4.6842	3.9293	1.0963	4.5582	5.0218	5.3246	3.2359	2.1419	2.5674	1.7785	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.936	H1	C4	H6	108.936
H1	C4	C7	109.827	Cl2	C7	C4	111.595
Cl2	C7	C8	119.981	C3	C8	C7	127.496
C3	C8	H9	116.670	C4	C7	C8	128.424
H5	C4	H6	107.997	H5	C4	C7	110.548
H6	C4	C7	110.548	C7	C8	H9	115.834
C8	C3	H10	110.869	C8	C3	H11	110.366
C8	C3	H12	110.366	H10	C3	H11	108.804
H10	C3	H12	108.804	H11	C3	H12	107.546

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

using model chemistry: mPW1PW91/3-21G

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	0.235
2	Cl	0.035
3	C	-0.683
4	C	-0.645
5	H	0.252
6	H	0.252
7	C	-0.237
8	C	-0.171
9	H	0.234
10	H	0.256
11	H	0.235
12	H	0.235

	x	y	z	Total
	1.713	1.601	0.000	2.345
CHELPG
AIM
ESP

<r²>	174.271
(<r²>)^1/2	13.201

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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