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	hartrees
Energy at 0K	-614.797094
Energy at 298.15K	-614.804218
Nuclear repulsion energy	204.466599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3105	6.10
2	A'	3100	3065	4.20
3	A'	3075	3041	13.12
4	A'	2975	2942	14.51
5	A'	2948	2916	18.14
6	A'	1686	1668	13.85
7	A'	1408	1393	6.73
8	A'	1370	1354	8.74
9	A'	1338	1323	12.91
10	A'	1306	1291	5.48
11	A'	1239	1225	0.22
12	A'	1175	1162	3.65
13	A'	1102	1090	6.85
14	A'	1001	990	15.07
15	A'	911	901	9.76
16	A'	843	834	57.87
17	A'	517	511	0.82
18	A'	325	321	0.79
19	A'	185	183	0.24
20	A"	3057	3023	13.06
21	A"	2977	2944	7.15
22	A"	1394	1378	10.39
23	A"	1217	1204	0.01
24	A"	1040	1028	1.41
25	A"	917	907	36.89
26	A"	794	785	9.84
27	A"	697	689	1.38
28	A"	298	295	1.25
29	A"	199	197	1.05
30	A"	171	169	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.877	-1.660	0.000
H2	2.458	-2.603	0.000
H3	2.184	-1.078	0.895
H4	2.184	-1.078	-0.895
C5	0.393	-1.929	0.000
H6	0.117	-2.557	-0.879
H7	0.117	-2.557	0.879
C8	0.000	0.529	0.000
Cl9	-1.021	1.920	0.000
H10	1.073	0.776	0.000
C11	-0.471	-0.720	0.000
H12	-1.565	-0.869	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1079	1.1108	1.1108	1.5087	2.1627	2.1627	2.8835	4.6068	2.5650	2.5294	3.5325
H2	1.1079		1.7899	1.7899	2.1730	2.5018	2.5018	3.9816	5.7073	3.6519	3.4825	4.3817
H3	1.1108	1.7899		1.7901	2.1754	3.0997	2.5415	2.8547	4.4791	2.3386	2.8241	3.8599
H4	1.1108	1.7899	1.7901		2.1754	2.5415	3.0997	2.8547	4.4791	2.3386	2.8241	3.8599
C5	1.5087	2.1730	2.1754	2.1754		1.1154	1.1154	2.4887	4.1009	2.7888	1.4857	2.2267
H6	2.1627	2.5018	3.0997	2.5415	1.1154		1.7590	3.2106	4.7029	3.5769	2.1197	2.5404
H7	2.1627	2.5018	2.5415	3.0997	1.1154	1.7590		3.2106	4.7029	3.5769	2.1197	2.5404
C8	2.8835	3.9816	2.8547	2.8547	2.4887	3.2106	3.2106		1.7264	1.1012	1.3345	2.0983
Cl9	4.6068	5.7073	4.4791	4.4791	4.1009	4.7029	4.7029	1.7264		2.3869	2.6973	2.8418
H10	2.5650	3.6519	2.3386	2.3386	2.7888	3.5769	3.5769	1.1012	2.3869		2.1497	3.1089
C11	2.5294	3.4825	2.8241	2.8241	1.4857	2.1197	2.1197	1.3345	2.6973	2.1497		1.1044
H12	3.5325	4.3817	3.8599	3.8599	2.2267	2.5404	2.5404	2.0983	2.8418	3.1089	1.1044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.105	C1	C5	H7	110.105
C1	C5	C11	115.281	H2	C1	H3	107.558
H2	C1	H4	107.558	H2	C1	C5	111.372
H3	C1	H4	107.373	H3	C1	C5	111.385
H4	C1	C5	111.385	C5	C11	C8	123.790
C5	C11	H12	117.808	H6	C5	H7	104.089
H6	C5	C11	108.323	H7	C5	C11	108.323
C8	C11	H12	118.402	Cl9	C8	H10	113.309
Cl9	C8	C11	123.066	H10	C8	C11	123.625

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

using model chemistry: LSDA/cc-pVDZ

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	-0.179
2	H	0.069
3	H	0.079
4	H	0.079
5	C	-0.114
6	H	0.081
7	H	0.081
8	C	-0.154
9	Cl	-0.053
10	H	0.074
11	C	-0.001
12	H	0.037

	x	y	z	Total
	0.906	-1.777	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	8.214	-1.409	0.000
y	-1.409	11.560	0.000
z	0.000	0.000	5.306

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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