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	hartrees
Energy at 0K	-614.728043
Energy at 298.15K	-614.734936
Nuclear repulsion energy	212.506629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	3039	11.26
2	A'	3086	3024	6.94
3	A'	3082	3020	5.32
4	A'	2982	2921	15.04
5	A'	2977	2917	17.91
6	A'	1763	1727	14.78
7	A'	1470	1440	18.59
8	A'	1463	1433	1.54
9	A'	1402	1374	19.16
10	A'	1400	1372	16.44
11	A'	1292	1266	28.55
12	A'	1168	1144	36.90
13	A'	1152	1129	2.50
14	A'	1026	1005	30.91
15	A'	911	893	27.00
16	A'	585	573	35.12
17	A'	525	514	0.94
18	A'	333	327	0.72
19	A'	239	234	2.04
20	A"	3060	2998	6.33
21	A"	3045	2983	11.75
22	A"	1467	1437	13.84
23	A"	1443	1414	19.12
24	A"	1064	1042	6.09
25	A"	1049	1028	0.16
26	A"	808	791	16.75
27	A"	470	460	2.27
28	A"	251	246	2.86
29	A"	198	194	2.82
30	A"	131	128	0.33

Atom	x (Å)	y (Å)	z (Å)
H1	0.202	2.672	0.000
Cl2	-1.259	-0.761	0.000
C3	1.886	-1.121	0.000
C4	-0.595	1.908	0.000
H5	-1.233	2.070	0.888
H6	-1.233	2.070	-0.888
C7	0.000	0.558	0.000
C8	1.296	0.235	0.000
H9	1.988	1.091	0.000
H10	1.103	-1.897	0.000
H11	2.529	-1.280	-0.886
H12	2.529	-1.280	0.886

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7303	4.1496	1.1039	1.7916	1.7916	2.1232	2.6707	2.3853	4.6563	4.6706	4.6706
Cl2	3.7303		3.1662	2.7499	2.9666	2.9666	1.8233	2.7422	3.7380	2.6214	3.9252	3.9252
C3	4.1496	3.1662		3.9155	4.5496	4.5496	2.5252	1.4790	2.2137	1.1026	1.1064	1.1064
C4	1.1039	2.7499	3.9155		1.1053	1.1053	1.4753	2.5246	2.7094	4.1664	4.5506	4.5506
H5	1.7916	2.9666	4.5496	1.1053		1.7762	2.1435	3.2479	3.4818	4.6882	5.3406	5.0371
H6	1.7916	2.9666	4.5496	1.1053	1.7762		2.1435	3.2479	3.4818	4.6882	5.0371	5.3406
C7	2.1232	1.8233	2.5252	1.4753	2.1435	2.1435		1.3354	2.0582	2.6911	3.2495	3.2495
C8	2.6707	2.7422	1.4790	2.5246	3.2479	3.2479	1.3354		1.1005	2.1405	2.1452	2.1452
H9	2.3853	3.7380	2.2137	2.7094	3.4818	3.4818	2.0582	1.1005		3.1156	2.5879	2.5879
H10	4.6563	2.6214	1.1026	4.1664	4.6882	4.6882	2.6911	2.1405	3.1156		1.7888	1.7888
H11	4.6706	3.9252	1.1064	4.5506	5.3406	5.0371	3.2495	2.1452	2.5879	1.7888		1.7730
H12	4.6706	3.9252	1.1064	4.5506	5.0371	5.3406	3.2495	2.1452	2.5879	1.7888	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.380	H1	C4	H6	108.380
H1	C4	C7	109.982	Cl2	C7	C4	112.526
Cl2	C7	C8	119.693	C3	C8	C7	127.529
C3	C8	H9	117.478	C4	C7	C8	127.781
H5	C4	H6	106.927	H5	C4	C7	111.520
H6	C4	C7	111.520	C7	C8	H9	114.994
C8	C3	H10	111.190	C8	C3	H11	111.331
C8	C3	H12	111.331	H10	C3	H11	108.148
H10	C3	H12	108.148	H11	C3	H12	106.497

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

using model chemistry: LSDA/6-31G

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	0.186
2	Cl	0.041
3	C	-0.572
4	C	-0.547
5	H	0.202
6	H	0.202
7	C	-0.179
8	C	-0.065
9	H	0.163
10	H	0.197
11	H	0.186
12	H	0.186

	x	y	z	Total
	1.562	1.456	0.000	2.136
CHELPG
AIM
ESP

	x	y	z
x	10.374	-0.349	0.000
y	-0.349	8.485	0.000
z	0.000	0.000	4.697

<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/6-31G

States and conformations

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