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	hartrees
Energy at 0K	-41.360523
Energy at 298.15K	-41.367633
HF Energy	-40.698222
Nuclear repulsion energy	89.236465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3104	8.28
2	A'	3193	3042	7.84
3	A'	3167	3018	34.09
4	A'	3069	2924	20.39
5	A'	3061	2917	31.60
6	A'	1665	1586	20.38
7	A'	1546	1473	6.32
8	A'	1516	1444	1.95
9	A'	1450	1382	9.12
10	A'	1399	1333	15.18
11	A'	1328	1266	0.87
12	A'	1281	1220	6.27
13	A'	1123	1070	0.72
14	A'	1050	1001	7.07
15	A'	905	862	7.69
16	A'	862	821	54.40
17	A'	522	497	1.95
18	A'	328	312	0.81
19	A'	189	180	0.33
20	A"	3166	3016	34.45
21	A"	3106	2959	13.84
22	A"	1541	1468	9.08
23	A"	1304	1242	0.52
24	A"	1122	1069	1.93
25	A"	949	905	53.77
26	A"	812	773	6.70
27	A"	699	666	0.03
28	A"	308	294	0.81
29	A"	197	188	0.71
30	A"	108	103	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-1.896	-0.988	0.000
H2	-2.987	-1.079	0.000
H3	-1.516	-1.503	0.889
H4	-1.516	-1.503	-0.889
C5	-1.492	0.494	0.000
H6	-1.927	0.993	-0.877
H7	-1.927	0.993	0.877
C8	0.943	-0.199	0.000
Cl9	2.655	0.183	0.000
H10	0.748	-1.265	0.000
C11	0.000	0.762	0.000
H12	0.319	1.804	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0945	1.0952	1.0952	1.5365	2.1670	2.1670	2.9475	4.6998	2.6593	2.5804	3.5647
H2	1.0945		1.7705	1.7705	2.1701	2.4873	2.4873	4.0279	5.7816	3.7402	3.5086	4.3868
H3	1.0952	1.7705		1.7774	2.1857	3.0847	2.5292	2.9218	4.5855	2.4437	2.8660	3.8848
H4	1.0952	1.7705	1.7774		2.1857	2.5292	3.0847	2.9218	4.5855	2.4437	2.8660	3.8848
C5	1.5365	2.1701	2.1857	2.1857		1.0988	1.0988	2.5320	4.1587	2.8488	1.5159	2.2354
H6	2.1670	2.4873	3.0847	2.5292	1.0988		1.7547	3.2289	4.7346	3.6091	2.1296	2.5440
H7	2.1670	2.4873	2.5292	3.0847	1.0988	1.7547		3.2289	4.7346	3.6091	2.1296	2.5440
C8	2.9475	4.0279	2.9218	2.9218	2.5320	3.2289	3.2289		1.7538	1.0846	1.3461	2.0977
Cl9	4.6998	5.7816	4.5855	4.5855	4.1587	4.7346	4.7346	1.7538		2.3946	2.7173	2.8431
H10	2.6593	3.7402	2.4437	2.4437	2.8488	3.6091	3.6091	1.0846	2.3946		2.1609	3.0995
C11	2.5804	3.5086	2.8660	2.8660	1.5159	2.1296	2.1296	1.3461	2.7173	2.1609		1.0903
H12	3.5647	4.3868	3.8848	3.8848	2.2354	2.5440	2.5440	2.0977	2.8431	3.0995	1.0903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.504	C1	C5	H7	109.504
C1	C5	C11	115.422	H2	C1	H3	107.918
H2	C1	H4	107.918	H2	C1	C5	110.004
H3	C1	H4	108.485	H3	C1	C5	111.198
H4	C1	C5	111.198	C5	C11	C8	124.327
C5	C11	H12	117.190	H6	C5	H7	105.969
H6	C5	C11	108.007	H7	C5	C11	108.007
C8	C11	H12	118.482	Cl9	C8	H10	112.932
Cl9	C8	C11	121.915	H10	C8	C11	125.153

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)

using model chemistry: MP2/CEP-121G*

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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All results from a given calculation for CHClCHCH2CH3 ((Z)-1-Chloro-1-butene)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)