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	hartrees
Energy at 0K	-616.415682
Energy at 298.15K	-616.422461
Nuclear repulsion energy	212.419123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3090	3055	20.84
2	A'	3076	3040	1.69
3	A'	3069	3034	11.81
4	A'	2975	2941	23.43
5	A'	2968	2934	28.20
6	A'	1687	1668	14.96
7	A'	1446	1430	12.04
8	A'	1436	1420	1.72
9	A'	1368	1353	4.59
10	A'	1364	1348	5.07
11	A'	1273	1258	26.33
12	A'	1128	1115	34.19
13	A'	1086	1074	6.55
14	A'	1003	992	16.78
15	A'	885	875	32.39
16	A'	595	588	28.48
17	A'	513	507	0.25
18	A'	336	332	0.73
19	A'	228	225	1.47
20	A"	3041	3007	8.54
21	A"	3022	2987	14.40
22	A"	1440	1424	8.09
23	A"	1424	1408	12.22
24	A"	1034	1022	0.27
25	A"	1012	1001	1.00
26	A"	783	774	17.75
27	A"	462	457	2.83
28	A"	248	245	2.50
29	A"	189	187	2.33
30	A"	114	113	0.21

Atom	x (Å)	y (Å)	z (Å)
H1	0.330	2.651	0.000
Cl2	-1.295	-0.681	0.000
C3	1.863	-1.227	0.000
C4	-0.513	1.942	0.000
H5	-1.138	2.137	0.889
H6	-1.138	2.137	-0.889
C7	0.000	0.532	0.000
C8	1.295	0.159	0.000
H9	2.014	0.988	0.000
H10	1.074	-1.994	0.000
H11	2.503	-1.388	-0.886
H12	2.503	-1.388	0.886

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7066	4.1697	1.1017	1.7914	1.7914	2.1439	2.6717	2.3663	4.7042	4.6712	4.6712
Cl2	3.7066		3.2045	2.7365	2.9586	2.9586	1.7743	2.7222	3.7065	2.7091	3.9637	3.9637
C3	4.1697	3.2045		3.9607	4.5947	4.5947	2.5623	1.4982	2.2209	1.0999	1.1051	1.1051
C4	1.1017	2.7365	3.9607		1.1037	1.1037	1.4999	2.5388	2.7014	4.2442	4.5796	4.5796
H5	1.7914	2.9586	4.5947	1.1037		1.7773	2.1586	3.2587	3.4708	4.7699	5.3698	5.0681
H6	1.7914	2.9586	4.5947	1.1037	1.7773		2.1586	3.2587	3.4708	4.7699	5.0681	5.3698
C7	2.1439	1.7743	2.5623	1.4999	2.1586	2.1586		1.3472	2.0655	2.7456	3.2771	3.2771
C8	2.6717	2.7222	1.4982	2.5388	3.2587	3.2587	1.3472		1.0983	2.1646	2.1542	2.1542
H9	2.3663	3.7065	2.2209	2.7014	3.4708	3.4708	2.0655	1.0983		3.1274	2.5833	2.5833
H10	4.7042	2.7091	1.0999	4.2442	4.7699	4.7699	2.7456	2.1646	3.1274		1.7870	1.7870
H11	4.6712	3.9637	1.1051	4.5796	5.3698	5.0681	3.2771	2.1542	2.5833	1.7870		1.7721
H12	4.6712	3.9637	1.1051	4.5796	5.0681	5.3698	3.2771	2.1542	2.5833	1.7870	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.635	H1	C4	H6	108.635
H1	C4	C7	110.041	Cl2	C7	C4	113.122
Cl2	C7	C8	120.787	C3	C8	C7	128.369
C3	C8	H9	116.757	C4	C7	C8	126.092
H5	C4	H6	107.248	H5	C4	C7	111.092
H6	C4	C7	111.092	C7	C8	H9	114.874
C8	C3	H10	111.935	C8	C3	H11	110.778
C8	C3	H12	110.778	H10	C3	H11	108.275
H10	C3	H12	108.275	H11	C3	H12	106.605

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

using model chemistry: PBEPBE/6-31+G**

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	0.175
2	Cl	0.128
3	C	-0.878
4	C	-0.758
5	H	0.194
6	H	0.194
7	C	0.269
8	C	-0.028
9	H	0.150
10	H	0.189
11	H	0.182
12	H	0.182

	x	y	z	Total
	1.367	1.098	0.000	1.754
CHELPG
AIM
ESP

	x	y	z
x	11.854	-0.657	0.000
y	-0.657	9.810	0.000
z	0.000	0.000	6.602

<r²>	174.624
(<r²>)^1/2	13.215

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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