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	hartrees
Energy at 0K	-616.725168
Energy at 298.15K	-616.731947
Nuclear repulsion energy	211.742580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3069	3052	20.47
2	A'	3053	3036	3.86
3	A'	3037	3020	13.81
4	A'	2958	2942	21.37
5	A'	2949	2933	29.01
6	A'	1677	1668	11.09
7	A'	1456	1448	5.25
8	A'	1446	1438	0.52
9	A'	1378	1370	0.50
10	A'	1372	1364	0.62
11	A'	1286	1279	22.15
12	A'	1123	1116	26.25
13	A'	1062	1057	7.58
14	A'	1012	1006	15.18
15	A'	875	870	30.90
16	A'	573	570	29.00
17	A'	509	506	0.15
18	A'	331	329	0.61
19	A'	227	226	1.58
20	A"	3009	2993	12.71
21	A"	2987	2970	20.16
22	A"	1449	1441	3.92
23	A"	1432	1424	6.54
24	A"	1046	1041	0.35
25	A"	1026	1020	0.92
26	A"	800	795	9.11
27	A"	462	459	0.54
28	A"	245	244	1.30
29	A"	190	189	1.23
30	A"	121	120	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	0.291	2.664	0.000
Cl2	-1.294	-0.702	0.000
C3	1.888	-1.205	0.000
C4	-0.538	1.941	0.000
H5	-1.167	2.127	0.886
H6	-1.167	2.127	-0.886
C7	0.000	0.535	0.000
C8	1.293	0.176	0.000
H9	2.005	1.010	0.000
H10	1.117	-1.986	0.000
H11	2.533	-1.352	-0.884
H12	2.533	-1.352	0.884

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7203	4.1853	1.1006	1.7888	1.7888	2.1486	2.6818	2.3818	4.7224	4.6838	4.6838
Cl2	3.7203		3.2215	2.7483	2.9671	2.9671	1.7901	2.7317	3.7162	2.7313	3.9809	3.9809
C3	4.1853	3.2215		3.9725	4.6065	4.6065	2.5675	1.5038	2.2175	1.0976	1.1042	1.1042
C4	1.1006	2.7483	3.9725		1.1025	1.1025	1.5050	2.5428	2.7080	4.2609	4.5888	4.5888
H5	1.7888	2.9671	4.6065	1.1025		1.7724	2.1637	3.2621	3.4776	4.7870	5.3786	5.0788
H6	1.7888	2.9671	4.6065	1.1025	1.7724		2.1637	3.2621	3.4776	4.7870	5.0788	5.3786
C7	2.1486	1.7901	2.5675	1.5050	2.1637	2.1637		1.3416	2.0601	2.7571	3.2801	3.2801
C8	2.6818	2.7317	1.5038	2.5428	3.2621	3.2621	1.3416		1.0961	2.1691	2.1578	2.1578
H9	2.3818	3.7162	2.2175	2.7080	3.4776	3.4776	2.0601	1.0961		3.1242	2.5769	2.5769
H10	4.7224	2.7313	1.0976	4.2609	4.7870	4.7870	2.7571	2.1691	3.1242		1.7853	1.7853
H11	4.6838	3.9809	1.1042	4.5888	5.3786	5.0788	3.2801	2.1578	2.5769	1.7853		1.7686
H12	4.6838	3.9809	1.1042	4.5888	5.0788	5.3786	3.2801	2.1578	2.5769	1.7853	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.580	H1	C4	H6	108.580
H1	C4	C7	110.131	Cl2	C7	C4	112.751
Cl2	C7	C8	120.774	C3	C8	C7	128.837
C3	C8	H9	116.176	C4	C7	C8	126.475
H5	C4	H6	107.001	H5	C4	C7	111.219
H6	C4	C7	111.219	C7	C8	H9	114.988
C8	C3	H10	112.037	C8	C3	H11	110.729
C8	C3	H12	110.729	H10	C3	H11	108.358
H10	C3	H12	108.358	H11	C3	H12	106.424

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.114
2	Cl	-0.205
3	C	-0.397
4	C	-0.422
5	H	0.129
6	H	0.129
7	C	0.279
8	C	-0.064
9	H	0.077
10	H	0.132
11	H	0.116
12	H	0.116

	x	y	z	Total
	1.359	1.118	0.000	1.760
CHELPG
AIM
ESP

	x	y	z
x	11.028	-0.623	0.000
y	-0.623	9.254	0.000
z	0.000	0.000	5.679

<r²>	175.280
(<r²>)^1/2	13.239

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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