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	hartrees
Energy at 0K	-616.765052
Energy at 298.15K	-616.772193
Nuclear repulsion energy	204.167743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3103	9.68
2	A'	3210	3047	7.87
3	A'	3167	3007	27.86
4	A'	3080	2924	18.75
5	A'	3057	2902	25.46
6	A'	1741	1653	15.49
7	A'	1532	1454	5.51
8	A'	1504	1428	2.14
9	A'	1435	1363	10.68
10	A'	1395	1324	17.49
11	A'	1345	1277	2.00
12	A'	1287	1222	4.75
13	A'	1122	1065	2.68
14	A'	1051	998	7.07
15	A'	914	868	8.22
16	A'	858	814	63.74
17	A'	522	495	2.24
18	A'	328	312	0.94
19	A'	191	181	0.60
20	A"	3156	2996	29.32
21	A"	3086	2930	13.58
22	A"	1519	1442	8.21
23	A"	1304	1238	0.09
24	A"	1114	1058	1.29
25	A"	984	934	39.75
26	A"	838	796	7.18
27	A"	734	697	0.60
28	A"	279	265	1.13
29	A"	180	171	0.18
30	A"	157	149	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.891	-1.687	0.000
H2	2.439	-2.631	0.000
H3	2.199	-1.122	0.884
H4	2.199	-1.122	-0.884
C5	0.392	-1.936	0.000
H6	0.118	-2.545	-0.871
H7	0.118	-2.545	0.871
C8	0.000	0.533	0.000
Cl9	-1.028	1.931	0.000
H10	1.051	0.788	0.000
C11	-0.467	-0.708	0.000
H12	-1.542	-0.863	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0917	1.0934	1.0934	1.5200	2.1536	2.1536	2.9162	4.6485	2.6137	2.5530	3.5309
H2	1.0917		1.7656	1.7656	2.1617	2.4799	2.4799	3.9949	5.7297	3.6902	3.4842	4.3560
H3	1.0934	1.7656		1.7682	2.1704	3.0715	2.5208	2.8905	4.5291	2.3973	2.8388	3.8529
H4	1.0934	1.7656	1.7682		2.1704	2.5208	3.0715	2.8905	4.5291	2.3973	2.8388	3.8529
C5	1.5200	2.1617	2.1704	2.1704		1.0972	1.0972	2.5003	4.1196	2.8031	1.4983	2.2118
H6	2.1536	2.4799	3.0715	2.5208	1.0972		1.7418	3.2013	4.7019	3.5693	2.1153	2.5190
H7	2.1536	2.4799	2.5208	3.0715	1.0972	1.7418		3.2013	4.7019	3.5693	2.1153	2.5190
C8	2.9162	3.9949	2.8905	2.8905	2.5003	3.2013	3.2013		1.7351	1.0815	1.3265	2.0806
Cl9	4.6485	5.7297	4.5291	4.5291	4.1196	4.7019	4.7019	1.7351		2.3723	2.6983	2.8412
H10	2.6137	3.6902	2.3973	2.3973	2.8031	3.5693	3.5693	1.0815	2.3723		2.1318	3.0746
C11	2.5530	3.4842	2.8388	2.8388	1.4983	2.1153	2.1153	1.3265	2.6983	2.1318		1.0865
H12	3.5309	4.3560	3.8529	3.8529	2.2118	2.5190	2.5190	2.0806	2.8412	3.0746	1.0865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.686	C1	C5	H7	109.686
C1	C5	C11	115.519	H2	C1	H3	107.808
H2	C1	H4	107.808	H2	C1	C5	110.658
H3	C1	H4	107.920	H3	C1	C5	111.248
H4	C1	C5	111.248	C5	C11	C8	124.419
C5	C11	H12	116.775	H6	C5	H7	105.070
H6	C5	C11	108.176	H7	C5	C11	108.176
C8	C11	H12	118.806	Cl9	C8	H10	112.687
Cl9	C8	C11	123.056	H10	C8	C11	124.257

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

using model chemistry: B1B95/6-31G*

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	C	-0.508
2	H	0.172
3	H	0.171
4	H	0.171
5	C	-0.339
6	H	0.178
7	H	0.178
8	C	-0.302
9	Cl	-0.022
10	H	0.204
11	C	-0.080
12	H	0.176

	x	y	z	Total
	0.993	-1.961	0.000	2.198
CHELPG
AIM
ESP

	x	y	z
x	7.418	-1.260	0.000
y	-1.260	10.739	0.000
z	0.000	0.000	4.908

<r²>	218.976
(<r²>)^1/2	14.798

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

using model chemistry: B1B95/6-31G*

States and conformations

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