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	hartrees
Energy at 0K	-41.572346
Energy at 298.15K	-41.579273
Nuclear repulsion energy	88.298678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3133	13.18
2	A'	3201	3065	12.44
3	A'	3164	3030	56.38
4	A'	3064	2934	22.30
5	A'	3056	2926	41.78
6	A'	1707	1635	17.55
7	A'	1505	1441	10.52
8	A'	1488	1425	5.46
9	A'	1422	1361	16.18
10	A'	1379	1320	10.48
11	A'	1318	1262	5.30
12	A'	1247	1194	6.30
13	A'	1120	1072	3.30
14	A'	1044	999	2.50
15	A'	907	868	9.01
16	A'	806	772	64.45
17	A'	497	475	2.01
18	A'	308	295	1.98
19	A'	169	162	0.59
20	A"	3160	3026	64.02
21	A"	3099	2968	20.66
22	A"	1495	1431	12.36
23	A"	1277	1223	0.14
24	A"	1106	1059	4.06
25	A"	988	946	73.97
26	A"	850	814	21.22
27	A"	739	708	1.42
28	A"	256	245	1.97
29	A"	151	144	0.09
30	A"	125	120	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	2.002	-1.623	0.000
H2	2.607	-2.543	0.000
H3	2.279	-1.037	0.892
H4	2.279	-1.037	-0.892
C5	0.496	-1.965	0.000
H6	0.255	-2.588	-0.880
H7	0.255	-2.588	0.880
C8	0.000	0.526	0.000
Cl9	-1.151	1.932	0.000
H10	1.038	0.850	0.000
C11	-0.438	-0.761	0.000
H12	-1.514	-0.962	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1012	1.1024	1.1024	1.5444	2.1814	2.1814	2.9371	4.7521	2.6544	2.5883	3.5776
H2	1.1012		1.7811	1.7811	2.1889	2.5116	2.5116	4.0269	5.8441	3.7386	3.5286	4.4139
H3	1.1024	1.7811		1.7841	2.1984	3.1050	2.5495	2.9036	4.6233	2.4282	2.8730	3.8966
H4	1.1024	1.7811	1.7841		2.1984	2.5495	3.1050	2.9036	4.6233	2.4282	2.8730	3.8966
C5	1.5444	2.1889	2.1984	2.1984		1.1055	1.1055	2.5391	4.2305	2.8664	1.5235	2.2460
H6	2.1814	2.5116	3.1050	2.5495	1.1055		1.7608	3.2460	4.8153	3.6346	2.1434	2.5592
H7	2.1814	2.5116	2.5495	3.1050	1.1055	1.7608		3.2460	4.8153	3.6346	2.1434	2.5592
C8	2.9371	4.0269	2.9036	2.9036	2.5391	3.2460	3.2460		1.8174	1.0880	1.3594	2.1223
Cl9	4.7521	5.8441	4.6233	4.6233	4.2305	4.8153	4.8153	1.8174		2.4420	2.7861	2.9169
H10	2.6544	3.7386	2.4282	2.4282	2.8664	3.6346	3.6346	1.0880	2.4420		2.1857	3.1300
C11	2.5883	3.5286	2.8730	2.8730	1.5235	2.1434	2.1434	1.3594	2.7861	2.1857		1.0940
H12	3.5776	4.4139	3.8966	3.8966	2.2460	2.5592	2.5592	2.1223	2.9169	3.1300	1.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.704	C1	C5	H7	109.704
C1	C5	C11	115.062	H2	C1	H3	107.844
H2	C1	H4	107.844	H2	C1	C5	110.543
H3	C1	H4	108.023	H3	C1	C5	111.222
H4	C1	C5	111.222	C5	C11	C8	123.361
C5	C11	H12	117.259	H6	C5	H7	105.571
H6	C5	C11	108.181	H7	C5	C11	108.181
C8	C11	H12	119.381	Cl9	C8	H10	111.932
Cl9	C8	C11	121.907	H10	C8	C11	126.161

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

using model chemistry: B1B95/CEP-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	C	-0.413
2	H	0.172
3	H	0.135
4	H	0.135
5	C	-0.269
6	H	0.131
7	H	0.131
8	C	-0.469
9	Cl	-0.053
10	H	0.291
11	C	-0.082
12	H	0.290

	x	y	z	Total
	1.353	-2.425	0.000	2.776
CHELPG
AIM
ESP

	x	y	z
x	7.284	-1.617	0.000
y	-1.617	10.594	0.000
z	0.000	0.000	4.407

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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