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	hartrees
Energy at 0K	-616.787799
Energy at 298.15K	-616.794671
Nuclear repulsion energy	214.238352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3039	20.41
2	A'	3160	3023	0.69
3	A'	3155	3018	12.44
4	A'	3058	2925	22.23
5	A'	3051	2919	26.90
6	A'	1759	1682	14.59
7	A'	1489	1424	10.81
8	A'	1478	1414	2.23
9	A'	1412	1351	5.05
10	A'	1407	1346	4.43
11	A'	1310	1253	26.69
12	A'	1166	1116	34.39
13	A'	1117	1069	3.99
14	A'	1033	988	16.25
15	A'	910	871	29.90
16	A'	618	591	28.03
17	A'	523	501	0.36
18	A'	338	324	0.54
19	A'	221	211	1.52
20	A"	3130	2994	8.95
21	A"	3110	2975	15.11
22	A"	1484	1420	7.96
23	A"	1468	1404	11.66
24	A"	1064	1018	0.20
25	A"	1052	1006	1.41
26	A"	821	785	16.97
27	A"	478	457	2.64
28	A"	253	242	2.44
29	A"	192	183	1.91
30	A"	114	109	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	0.323	2.632	0.000
Cl2	-1.281	-0.675	0.000
C3	1.846	-1.219	0.000
C4	-0.512	1.928	0.000
H5	-1.130	2.117	0.882
H6	-1.130	2.117	-0.882
C7	0.000	0.526	0.000
C8	1.283	0.160	0.000
H9	1.996	0.982	0.000
H10	1.064	-1.978	0.000
H11	2.480	-1.377	-0.879
H12	2.480	-1.377	0.879

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6759	4.1417	1.0918	1.7758	1.7758	2.1301	2.6516	2.3504	4.6694	4.6366	4.6366
Cl2	3.6759		3.1747	2.7146	2.9326	2.9326	1.7569	2.6967	3.6730	2.6828	3.9256	3.9256
C3	4.1417	3.1747		3.9324	4.5576	4.5576	2.5410	1.4902	2.2063	1.0901	1.0949	1.0949
C4	1.0918	2.7146	3.9324		1.0936	1.0936	1.4917	2.5186	2.6805	4.2117	4.5434	4.5434
H5	1.7758	2.9326	4.5576	1.0936		1.7630	2.1415	3.2296	3.4415	4.7293	5.3239	5.0244
H6	1.7758	2.9326	4.5576	1.0936	1.7630		2.1415	3.2296	3.4415	4.7293	5.0244	5.3239
C7	2.1301	1.7569	2.5410	1.4917	2.1415	2.1415		1.3339	2.0477	2.7213	3.2473	3.2473
C8	2.6516	2.6967	1.4902	2.5186	3.2296	3.2296	1.3339		1.0885	2.1496	2.1376	2.1376
H9	2.3504	3.6730	2.2063	2.6805	3.4415	3.4415	2.0477	1.0885		3.1035	2.5635	2.5635
H10	4.6694	2.6828	1.0901	4.2117	4.7293	4.7293	2.7213	2.1496	3.1035		1.7715	1.7715
H11	4.6366	3.9256	1.0949	4.5434	5.3239	5.0244	3.2473	2.1376	2.5635	1.7715		1.7582
H12	4.6366	3.9256	1.0949	4.5434	5.0244	5.3239	3.2473	2.1376	2.5635	1.7715	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.693	H1	C4	H6	108.693
H1	C4	C7	110.107	Cl2	C7	C4	113.108
Cl2	C7	C8	120.893	C3	C8	C7	128.169
C3	C8	H9	116.789	C4	C7	C8	125.999
H5	C4	H6	107.427	H5	C4	C7	110.917
H6	C4	C7	110.917	C7	C8	H9	115.043
C8	C3	H10	111.895	C8	C3	H11	110.628
C8	C3	H12	110.628	H10	C3	H11	108.346
H10	C3	H12	108.346	H11	C3	H12	106.822

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

using model chemistry: B1B95/6-31+G**

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	0.164
2	Cl	0.089
3	C	-0.790
4	C	-0.687
5	H	0.183
6	H	0.183
7	C	0.238
8	C	-0.048
9	H	0.148
10	H	0.179
11	H	0.171
12	H	0.171

	x	y	z	Total
	1.396	1.115	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	11.279	-0.582	0.000
y	-0.582	9.205	0.000
z	0.000	0.000	6.317

<r²>	171.835
(<r²>)^1/2	13.109

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

using model chemistry: B1B95/6-31+G**

States and conformations

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