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	hartrees
Energy at 0K	-609.922006
Energy at 298.15K	-609.928560
Nuclear repulsion energy	210.011550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3116	1.23
2	A'	3480	3106	0.09
3	A'	3426	3057	15.18
4	A'	3303	2948	0.06
5	A'	3302	2947	0.62
6	A'	1866	1665	7.84
7	A'	1667	1488	6.84
8	A'	1661	1482	0.44
9	A'	1560	1392	0.04
10	A'	1553	1386	2.31
11	A'	1409	1257	32.83
12	A'	1255	1120	23.44
13	A'	1164	1039	2.73
14	A'	1118	997	20.54
15	A'	981	875	16.12
16	A'	658	587	14.84
17	A'	534	476	0.51
18	A'	326	291	0.80
19	A'	226	202	2.20
20	A"	3458	3086	0.01
21	A"	3447	3076	0.22
22	A"	1665	1486	6.37
23	A"	1648	1470	5.17
24	A"	1157	1033	3.64
25	A"	1141	1018	1.19
26	A"	875	781	5.64
27	A"	460	411	0.00
28	A"	243	217	1.56
29	A"	164	146	0.38
30	A"	132	118	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	0.235	2.702	0.000
Cl2	-1.276	-0.751	0.000
C3	1.896	-1.182	0.000
C4	-0.583	1.965	0.000
H5	-1.211	2.127	0.892
H6	-1.211	2.127	-0.892
C7	0.000	0.549	0.000
C8	1.304	0.225	0.000
H9	2.022	1.060	0.000
H10	1.096	-1.936	0.000
H11	2.530	-1.331	-0.891
H12	2.530	-1.331	0.891

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7692	4.2241	1.1011	1.7942	1.7942	2.1660	2.6977	2.4262	4.7170	4.7250	4.7250
Cl2	3.7692		3.2015	2.8033	3.0141	3.0141	1.8215	2.7585	3.7623	2.6514	3.9520	3.9520
C3	4.2241	3.2015		4.0066	4.6264	4.6264	2.5673	1.5265	2.2456	1.0996	1.1035	1.1035
C4	1.1011	2.8033	4.0066		1.1032	1.1032	1.5320	2.5672	2.7577	4.2473	4.6211	4.6211
H5	1.7942	3.0141	4.6264	1.1032		1.7849	2.1806	3.2774	3.5194	4.7569	5.3980	5.0949
H6	1.7942	3.0141	4.6264	1.1032	1.7849		2.1806	3.2774	3.5194	4.7569	5.0949	5.3980
C7	2.1660	1.8215	2.5673	1.5320	2.1806	2.1806		1.3436	2.0853	2.7156	3.2756	3.2756
C8	2.6977	2.7585	1.5265	2.5672	3.2774	3.2774	1.3436		1.1011	2.1710	2.1723	2.1723
H9	2.4262	3.7623	2.2456	2.7577	3.5194	3.5194	2.0853	1.1011		3.1359	2.6020	2.6020
H10	4.7170	2.6514	1.0996	4.2473	4.7569	4.7569	2.7156	2.1710	3.1359		1.7936	1.7936
H11	4.7250	3.9520	1.1035	4.6211	5.3980	5.0949	3.2756	2.1723	2.6020	1.7936		1.7816
H12	4.7250	3.9520	1.1035	4.6211	5.0949	5.3980	3.2756	2.1723	2.6020	1.7936	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.963	H1	C4	H6	108.963
H1	C4	C7	109.605	Cl2	C7	C4	113.147
Cl2	C7	C8	120.532	C3	C8	C7	126.770
C3	C8	H9	116.500	C4	C7	C8	126.321
H5	C4	H6	107.995	H5	C4	C7	110.634
H6	C4	C7	110.634	C7	C8	H9	116.730
C8	C3	H10	110.463	C8	C3	H11	110.334
C8	C3	H12	110.334	H10	C3	H11	108.995
H10	C3	H12	108.995	H11	C3	H12	107.656

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

using model chemistry: B3LYP/STO-3G

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	0.090
2	Cl	-0.149
3	C	-0.225
4	C	-0.219
5	H	0.095
6	H	0.095
7	C	0.029
8	C	-0.072
9	H	0.085
10	H	0.097
11	H	0.086
12	H	0.086

	x	y	z	Total
	1.591	1.451	0.000	2.153
CHELPG
AIM
ESP

	x	y	z
x	6.108	-0.092	0.000
y	-0.092	4.576	0.000
z	0.000	0.000	2.047

<r²>	175.653
(<r²>)^1/2	13.253

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

using model chemistry: B3LYP/STO-3G

States and conformations

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