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	hartrees
Energy at 0K	-616.756450
Energy at 298.15K
HF Energy	-616.756450
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3035	20.87
2	A'	3184	3020	1.41
3	A'	3169	3006	13.26
4	A'	3075	2916	19.46
5	A'	3071	2913	25.97
6	A'	1791	1699	12.29
7	A'	1527	1449	10.53
8	A'	1518	1439	0.29
9	A'	1456	1381	1.58
10	A'	1451	1376	4.75
11	A'	1350	1280	27.01
12	A'	1193	1131	26.07
13	A'	1123	1065	4.04
14	A'	1064	1009	20.03
15	A'	933	885	28.54
16	A'	626	594	26.38
17	A'	540	512	0.23
18	A'	349	331	0.55
19	A'	254	241	1.22
20	A"	3145	2983	12.07
21	A"	3130	2969	19.08
22	A"	1521	1442	7.55
23	A"	1509	1431	10.83
24	A"	1088	1032	1.25
25	A"	1077	1022	0.79
26	A"	846	802	13.21
27	A"	478	453	1.22
28	A"	247	234	2.07
29	A"	169	160	1.37
30	A"	75i	71i	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.328	2.637	0.000
Cl2	-1.288	-0.679	0.000
C3	1.855	-1.220	0.000
C4	-0.509	1.933	0.000
H5	-1.127	2.126	0.884
H6	-1.127	2.126	-0.884
C7	0.000	0.524	0.000
C8	1.281	0.162	0.000
H9	1.995	0.984	0.000
H10	1.080	-1.988	0.000
H11	2.489	-1.370	-0.881
H12	2.489	-1.370	0.881

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6893	4.1483	1.0938	1.7776	1.7776	2.1385	2.6521	2.3476	4.6862	4.6379	4.6379
Cl2	3.6893		3.1888	2.7262	2.9453	2.9453	1.7624	2.7028	3.6802	2.7050	3.9395	3.9395
C3	4.1483	3.1888		3.9410	4.5679	4.5679	2.5461	1.4965	2.2085	1.0917	1.0963	1.0963
C4	1.0938	2.7262	3.9410		1.0953	1.0953	1.4983	2.5181	2.6780	4.2312	4.5478	4.5478
H5	1.7776	2.9453	4.5679	1.0953		1.7672	2.1485	3.2302	3.4397	4.7513	5.3307	5.0301
H6	1.7776	2.9453	4.5679	1.0953	1.7672		2.1485	3.2302	3.4397	4.7513	5.0301	5.3307
C7	2.1385	1.7624	2.5461	1.4983	2.1485	2.1485		1.3310	2.0475	2.7345	3.2501	3.2501
C8	2.6521	2.7028	1.4965	2.5181	3.2302	3.2302	1.3310		1.0891	2.1598	2.1416	2.1416
H9	2.3476	3.6802	2.2085	2.6780	3.4397	3.4397	2.0475	1.0891		3.1103	2.5625	2.5625
H10	4.6862	2.7050	1.0917	4.2312	4.7513	4.7513	2.7345	2.1598	3.1103		1.7736	1.7736
H11	4.6379	3.9395	1.0963	4.5478	5.3307	5.0301	3.2501	2.1416	2.5625	1.7736		1.7628
H12	4.6379	3.9395	1.0963	4.5478	5.0301	5.3307	3.2501	2.1416	2.5625	1.7736	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.592	H1	C4	H6	108.592
H1	C4	C7	110.200	Cl2	C7	C4	113.207
Cl2	C7	C8	121.155	C3	C8	C7	128.343
C3	C8	H9	116.450	C4	C7	C8	125.638
H5	C4	H6	107.552	H5	C4	C7	110.908
H6	C4	C7	110.908	C7	C8	H9	115.207
C8	C3	H10	112.178	C8	C3	H11	110.424
C8	C3	H12	110.424	H10	C3	H11	108.308
H10	C3	H12	108.308	H11	C3	H12	107.026

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

using model chemistry: wB97X-D/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	0.182
2	Cl	-0.045
3	C	-0.544
4	C	-0.532
5	H	0.194
6	H	0.194
7	C	-0.050
8	C	-0.130
9	H	0.168
10	H	0.199
11	H	0.182
12	H	0.182

	x	y	z	Total
	1.456	1.159	0.000	1.861
CHELPG
AIM
ESP

	x	y	z
x	10.188	-0.444	0.000
y	-0.444	8.170	0.000
z	0.000	0.000	4.962

<r²>	172.340
(<r²>)^1/2	13.128

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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