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	hartrees
Energy at 0K	-616.408676
Energy at 298.15K	-616.415478
Nuclear repulsion energy	212.564965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	3053	17.96
2	A'	3081	3039	3.75
3	A'	3076	3033	10.28
4	A'	2980	2939	19.49
5	A'	2973	2932	24.90
6	A'	1700	1677	12.80
7	A'	1456	1436	7.91
8	A'	1445	1425	0.95
9	A'	1375	1356	2.74
10	A'	1370	1351	3.32
11	A'	1277	1259	25.36
12	A'	1133	1118	32.22
13	A'	1092	1077	5.65
14	A'	1007	993	18.78
15	A'	888	876	29.26
16	A'	597	589	28.21
17	A'	514	507	0.25
18	A'	335	331	0.66
19	A'	229	226	1.62
20	A"	3047	3005	10.37
21	A"	3028	2986	16.41
22	A"	1448	1428	6.32
23	A"	1431	1412	9.48
24	A"	1038	1024	1.36
25	A"	1015	1001	0.57
26	A"	787	777	12.11
27	A"	460	454	1.18
28	A"	248	244	1.77
29	A"	192	189	2.08
30	A"	125	123	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.326	2.650	0.000
Cl2	-1.293	-0.683	0.000
C3	1.862	-1.223	0.000
C4	-0.515	1.939	0.000
H5	-1.140	2.134	0.888
H6	-1.140	2.134	-0.888
C7	0.000	0.532	0.000
C8	1.293	0.162	0.000
H9	2.011	0.992	0.000
H10	1.074	-1.989	0.000
H11	2.503	-1.384	-0.885
H12	2.503	-1.384	0.885

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7059	4.1661	1.1012	1.7904	1.7904	2.1432	2.6697	2.3640	4.6985	4.6687	4.6687
Cl2	3.7059		3.2009	2.7358	2.9582	2.9582	1.7744	2.7208	3.7049	2.7027	3.9603	3.9603
C3	4.1661	3.2009		3.9560	4.5906	4.5906	2.5585	1.4966	2.2198	1.0994	1.1047	1.1047
C4	1.1012	2.7358	3.9560		1.1034	1.1034	1.4988	2.5358	2.6982	4.2372	4.5758	4.5758
H5	1.7904	2.9582	4.5906	1.1034		1.7756	2.1579	3.2562	3.4680	4.7633	5.3664	5.0650
H6	1.7904	2.9582	4.5906	1.1034	1.7756		2.1579	3.2562	3.4680	4.7633	5.0650	5.3664
C7	2.1432	1.7744	2.5585	1.4988	2.1579	2.1579		1.3453	2.0635	2.7396	3.2741	3.2741
C8	2.6697	2.7208	1.4966	2.5358	3.2562	3.2562	1.3453		1.0979	2.1615	2.1533	2.1533
H9	2.3640	3.7049	2.2198	2.6982	3.4680	3.4680	2.0635	1.0979		3.1248	2.5830	2.5830
H10	4.6985	2.7027	1.0994	4.2372	4.7633	4.7633	2.7396	2.1615	3.1248		1.7867	1.7867
H11	4.6687	3.9603	1.1047	4.5758	5.3664	5.0650	3.2741	2.1533	2.5830	1.7867		1.7706
H12	4.6687	3.9603	1.1047	4.5758	5.0650	5.3664	3.2741	2.1533	2.5830	1.7867	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.609	H1	C4	H6	108.609
H1	C4	C7	110.095	Cl2	C7	C4	113.132
Cl2	C7	C8	120.802	C3	C8	C7	128.312
C3	C8	H9	116.809	C4	C7	C8	126.066
H5	C4	H6	107.147	H5	C4	C7	111.139
H6	C4	C7	111.139	C7	C8	H9	114.879
C8	C3	H10	111.829	C8	C3	H11	110.838
C8	C3	H12	110.838	H10	C3	H11	108.309
H10	C3	H12	108.309	H11	C3	H12	106.523

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

using model chemistry: PBEPBE/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	0.135
2	Cl	-0.032
3	C	-0.409
4	C	-0.390
5	H	0.151
6	H	0.151
7	C	-0.079
8	C	-0.060
9	H	0.108
10	H	0.150
11	H	0.138
12	H	0.138

	x	y	z	Total
	1.342	1.096	0.000	1.733
CHELPG
AIM
ESP

	x	y	z
x	10.622	-0.599	0.000
y	-0.599	8.794	0.000
z	0.000	0.000	5.101

<r²>	173.776
(<r²>)^1/2	13.182

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

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

States and conformations

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