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	hartrees
Energy at 0K	-613.773189
Energy at 298.15K
HF Energy	-613.773189
Nuclear repulsion energy	213.653791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	2977	7.08
2	A'	3123	2958	2.59
3	A'	3120	2956	3.34
4	A'	3035	2875	7.31
5	A'	3023	2863	10.27
6	A'	1788	1694	11.94
7	A'	1553	1471	14.81
8	A'	1545	1463	0.26
9	A'	1465	1388	6.98
10	A'	1463	1386	10.10
11	A'	1370	1297	27.08
12	A'	1198	1135	19.47
13	A'	1104	1046	2.75
14	A'	1085	1027	24.43
15	A'	934	884	29.28
16	A'	629	595	22.11
17	A'	544	515	0.60
18	A'	346	327	0.48
19	A'	250	237	1.16
20	A"	3096	2933	4.55
21	A"	3075	2912	8.32
22	A"	1549	1468	10.37
23	A"	1535	1454	14.31
24	A"	1112	1053	3.98
25	A"	1101	1043	0.08
26	A"	845	800	18.49
27	A"	483	457	2.82
28	A"	236	224	3.67
29	A"	144	136	1.24
30	A"	113i	107i	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.285	2.649	0.000
Cl2	-1.270	-0.699	0.000
C3	1.855	-1.203	0.000
C4	-0.541	1.933	0.000
H5	-1.161	2.103	0.886
H6	-1.161	2.103	-0.886
C7	0.000	0.528	0.000
C8	1.285	0.190	0.000
H9	2.001	1.009	0.000
H10	1.062	-1.953	0.000
H11	2.484	-1.357	-0.885
H12	2.484	-1.357	0.885

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6922	4.1601	1.0932	1.7820	1.7820	2.1407	2.6547	2.3737	4.6672	4.6550	4.6550
Cl2	3.6922		3.1656	2.7315	2.9415	2.9415	1.7660	2.7057	3.6905	2.6473	3.9125	3.9125
C3	4.1601	3.1656		3.9465	4.5626	4.5626	2.5372	1.5054	2.2172	1.0916	1.0962	1.0962
C4	1.0932	2.7315	3.9465		1.0952	1.0952	1.5056	2.5240	2.7043	4.2031	4.5557	4.5557
H5	1.7820	2.9415	4.5626	1.0952		1.7722	2.1486	3.2297	3.4616	4.7095	5.3290	5.0262
H6	1.7820	2.9415	4.5626	1.0952	1.7722		2.1486	3.2297	3.4616	4.7095	5.0262	5.3290
C7	2.1407	1.7660	2.5372	1.5056	2.1486	2.1486		1.3288	2.0582	2.6982	3.2411	3.2411
C8	2.6547	2.7057	1.5054	2.5240	3.2297	3.2297	1.3288		1.0878	2.1547	2.1480	2.1480
H9	2.3737	3.6905	2.2172	2.7043	3.4616	3.4616	2.0582	1.0878		3.1075	2.5721	2.5721
H10	4.6672	2.6473	1.0916	4.2031	4.7095	4.7095	2.6982	2.1547	3.1075		1.7777	1.7777
H11	4.6550	3.9125	1.0962	4.5557	5.3290	5.0262	3.2411	2.1480	2.5721	1.7777		1.7693
H12	4.6550	3.9125	1.0962	4.5557	5.0262	5.3290	3.2411	2.1480	2.5721	1.7777	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	109.034	H1	C4	H6	109.034
H1	C4	C7	109.902	Cl2	C7	C4	112.972
Cl2	C7	C8	121.274	C3	C8	C7	126.959
C3	C8	H9	116.600	C4	C7	C8	125.754
H5	C4	H6	108.006	H5	C4	C7	110.410
H6	C4	C7	110.410	C7	C8	H9	116.442
C8	C3	H10	111.126	C8	C3	H11	110.314
C8	C3	H12	110.314	H10	C3	H11	108.691
H10	C3	H12	108.691	H11	C3	H12	107.612

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

using model chemistry: M06-2X/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	0.213
2	Cl	-0.004
3	C	-0.617
4	C	-0.585
5	H	0.229
6	H	0.229
7	C	-0.169
8	C	-0.178
9	H	0.214
10	H	0.232
11	H	0.217
12	H	0.217

	x	y	z	Total
	1.436	1.168	0.000	1.851
CHELPG
AIM
ESP

	x	y	z
x	9.677	-0.322	0.000
y	-0.322	7.658	0.000
z	0.000	0.000	4.440

<r²>	172.211
(<r²>)^1/2	13.123

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

using model chemistry: M06-2X/3-21G*

States and conformations

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