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	hartrees
Energy at 0K	-615.088397
Energy at 298.15K	-615.095597
HF Energy	-615.088397
Nuclear repulsion energy	214.288272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	2998	27.04
2	A'	3282	2982	1.05
3	A'	3255	2957	19.58
4	A'	3178	2887	26.66
5	A'	3170	2880	36.29
6	A'	1890	1717	14.67
7	A'	1615	1468	7.91
8	A'	1606	1459	2.14
9	A'	1547	1406	1.70
10	A'	1541	1400	0.76
11	A'	1439	1307	30.10
12	A'	1261	1146	31.73
13	A'	1154	1048	2.14
14	A'	1134	1030	14.04
15	A'	970	881	32.80
16	A'	644	585	32.24
17	A'	561	510	0.03
18	A'	365	332	0.64
19	A'	252	229	1.44
20	A"	3237	2941	19.15
21	A"	3212	2919	29.53
22	A"	1610	1462	7.41
23	A"	1594	1448	9.20
24	A"	1175	1067	2.21
25	A"	1168	1061	1.50
26	A"	923	838	15.56
27	A"	518	471	2.61
28	A"	272	247	1.76
29	A"	208	189	1.46
30	A"	106	96	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	0.567	2.513	0.000
Cl2	-1.346	-0.565	0.000
C3	1.793	-1.320	0.000
C4	-0.339	1.919	0.000
H5	-0.919	2.183	0.877
H6	-0.919	2.183	-0.877
C7	0.000	0.481	0.000
C8	1.268	0.071	0.000
H9	1.985	0.833	0.000
H10	1.011	-2.054	0.000
H11	2.413	-1.485	-0.875
H12	2.413	-1.485	0.875

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6234	4.0241	1.0834	1.7564	1.7564	2.1096	2.5403	2.1986	4.5881	4.4893	4.4893
Cl2	3.6234		3.2280	2.6800	2.9155	2.9155	1.7041	2.6896	3.6118	2.7878	3.9673	3.9673
C3	4.0241	3.2280		3.8778	4.5158	4.5158	2.5410	1.4868	2.1612	1.0721	1.0848	1.0848
C4	1.0834	2.6800	3.8778		1.0835	1.0835	1.4778	2.4490	2.5656	4.1961	4.4639	4.4639
H5	1.7564	2.9155	4.5158	1.0835		1.7531	2.1238	3.1639	3.3203	4.7375	5.2556	4.9553
H6	1.7564	2.9155	4.5158	1.0835	1.7531		2.1238	3.1639	3.3203	4.7375	4.9553	5.2556
C7	2.1096	1.7041	2.5410	1.4778	2.1238	2.1238		1.3322	2.0158	2.7288	3.2328	3.2328
C8	2.5403	2.6896	1.4868	2.4490	3.1639	3.1639	1.3322		1.0461	2.1402	2.1207	2.1207
H9	2.1986	3.6118	2.1612	2.5656	3.3203	3.3203	2.0158	1.0461		3.0462	2.5137	2.5137
H10	4.5881	2.7878	1.0721	4.1961	4.7375	4.7375	2.7288	2.1402	3.0462		1.7475	1.7475
H11	4.4893	3.9673	1.0848	4.4639	5.2556	4.9553	3.2328	2.1207	2.5137	1.7475		1.7491
H12	4.4893	3.9673	1.0848	4.4639	4.9553	5.2556	3.2328	2.1207	2.5137	1.7475	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.302	H1	C4	H6	108.302
H1	C4	C7	109.959	Cl2	C7	C4	114.570
Cl2	C7	C8	124.245	C3	C8	C7	128.591
C3	C8	H9	116.038	C4	C7	C8	121.185
H5	C4	H6	107.993	H5	C4	C7	111.093
H6	C4	C7	111.093	C7	C8	H9	115.371
C8	C3	H10	112.512	C8	C3	H11	110.124
C8	C3	H12	110.124	H10	C3	H11	108.235
H10	C3	H12	108.235	H11	C3	H12	107.454

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

using model chemistry: HF/TZVP

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	0.094
2	Cl	-0.176
3	C	-0.252
4	C	-0.214
5	H	0.102
6	H	0.102
7	C	-0.001
8	C	-0.076
9	H	0.119
10	H	0.116
11	H	0.093
12	H	0.093

	x	y	z	Total
	1.573	1.246	0.000	2.007
CHELPG
AIM
ESP

	x	y	z
x	10.781	-0.465	0.000
y	-0.465	8.408	0.000
z	0.000	0.000	5.950

<r²>	172.316
(<r²>)^1/2	13.127

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

using model chemistry: HF/TZVP

States and conformations

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