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	hartrees
Energy at 0K	-616.880659
Energy at 298.15K	-616.887814
Nuclear repulsion energy	202.638472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3115	10.18
2	A'	3152	3046	9.60
3	A'	3102	2997	38.05
4	A'	3035	2933	23.66
5	A'	3008	2907	30.98
6	A'	1697	1640	16.57
7	A'	1527	1476	6.14
8	A'	1492	1441	3.12
9	A'	1432	1384	8.61
10	A'	1387	1340	20.48
11	A'	1334	1289	1.87
12	A'	1271	1228	6.69
13	A'	1104	1067	0.53
14	A'	1049	1014	5.70
15	A'	887	857	6.40
16	A'	818	791	70.97
17	A'	520	502	4.73
18	A'	326	315	0.88
19	A'	182	176	0.49
20	A"	3096	2991	40.92
21	A"	3023	2921	17.38
22	A"	1522	1471	9.21
23	A"	1306	1262	0.17
24	A"	1114	1077	1.55
25	A"	970	938	48.24
26	A"	833	805	9.53
27	A"	729	705	0.03
28	A"	299	289	0.80
29	A"	199	193	0.65
30	A"	145	140	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.928	-1.708	0.000
H2	2.461	-2.662	0.000
H3	2.252	-1.151	0.884
H4	2.252	-1.151	-0.884
C5	0.417	-1.939	0.000
H6	0.139	-2.548	-0.870
H7	0.139	-2.548	0.870
C8	0.000	0.542	0.000
Cl9	-1.068	1.939	0.000
H10	1.041	0.831	0.000
C11	-0.447	-0.706	0.000
H12	-1.522	-0.874	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0924	1.0935	1.0935	1.5283	2.1599	2.1599	2.9629	4.7194	2.6892	2.5781	3.5493
H2	1.0924		1.7626	1.7626	2.1672	2.4821	2.4821	4.0395	5.7977	3.7701	3.5045	4.3652
H3	1.0935	1.7626		1.7681	2.1830	3.0809	2.5329	2.9526	4.6204	2.4851	2.8747	3.8854
H4	1.0935	1.7626	1.7681		2.1830	2.5329	3.0809	2.9526	4.6204	2.4851	2.8747	3.8854
C5	1.5283	2.1672	2.1830	2.1830		1.0981	1.0981	2.5156	4.1524	2.8393	1.5061	2.2124
H6	2.1599	2.4821	3.0809	2.5329	1.0981		1.7400	3.2132	4.7271	3.6042	2.1201	2.5133
H7	2.1599	2.4821	2.5329	3.0809	1.0981	1.7400		3.2132	4.7271	3.6042	2.1201	2.5133
C8	2.9629	4.0395	2.9526	2.9526	2.5156	3.2132	3.2132		1.7582	1.0807	1.3254	2.0786
Cl9	4.7194	5.7977	4.6204	4.6204	4.1524	4.7271	4.7271	1.7582		2.3822	2.7164	2.8493
H10	2.6892	3.7701	2.4851	2.4851	2.8393	3.6042	3.6042	1.0807	2.3822		2.1395	3.0784
C11	2.5781	3.5045	2.8747	2.8747	1.5061	2.1201	2.1201	1.3254	2.7164	2.1395		1.0876
H12	3.5493	4.3652	3.8854	3.8854	2.2124	2.5133	2.5133	2.0786	2.8493	3.0784	1.0876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.562	C1	C5	H7	109.562
C1	C5	C11	116.344	H2	C1	H3	107.473
H2	C1	H4	107.473	H2	C1	C5	110.468
H3	C1	H4	107.891	H3	C1	C5	111.669
H4	C1	C5	111.669	C5	C11	C8	125.236
C5	C11	H12	116.140	H6	C5	H7	104.795
H6	C5	C11	107.972	H7	C5	C11	107.972
C8	C11	H12	118.624	Cl9	C8	H10	111.871
Cl9	C8	C11	122.887	H10	C8	C11	125.242

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	-0.650	-0.233
2	H	0.217	0.062
3	H	0.216	0.060
4	H	0.216	0.060
5	C	-0.408	0.160
6	H	0.218	0.005
7	H	0.218	0.005
8	C	-0.306	-0.217
9	Cl	-0.070	-0.109
10	H	0.256	0.201
11	C	-0.124	-0.117
12	H	0.217	0.124

	x	y	z	Total
	1.049	-2.070	0.000	2.321
CHELPG
AIM
ESP	1.113	-2.054	0.000	2.337

	x	y	z
x	8.028	-1.504	0.000
y	-1.504	11.479	0.000
z	0.000	0.000	5.291

<r²>	223.992
(<r²>)^1/2	14.966

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

using model chemistry: B3LYP/6-311G*

States and conformations

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