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	hartrees
Energy at 0K	-40.609170
Energy at 298.15K	-40.616564
Nuclear repulsion energy	88.834261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3116	13.83
2	A'	3319	3029	10.60
3	A'	3237	2954	64.27
4	A'	3154	2878	23.27
5	A'	3145	2869	54.25
6	A'	1807	1649	18.33
7	A'	1647	1503	6.27
8	A'	1630	1488	3.28
9	A'	1560	1423	7.92
10	A'	1509	1377	18.58
11	A'	1437	1311	7.97
12	A'	1364	1245	12.89
13	A'	1191	1087	0.14
14	A'	1131	1032	1.94
15	A'	936	854	4.66
16	A'	846	772	79.88
17	A'	543	496	9.63
18	A'	338	308	1.97
19	A'	191	174	0.85
20	A"	3237	2953	73.36
21	A"	3187	2908	18.55
22	A"	1642	1499	8.89
23	A"	1403	1280	0.81
24	A"	1227	1120	3.08
25	A"	1074	980	65.05
26	A"	930	848	18.04
27	A"	809	738	0.00
28	A"	305	278	0.72
29	A"	210	192	0.26
30	A"	130	119	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.935	-0.991	0.000
H2	-3.019	-1.059	0.000
H3	-1.571	-1.513	0.881
H4	-1.571	-1.513	-0.881
C5	-1.500	0.486	0.000
H6	-1.922	0.988	-0.869
H7	-1.922	0.988	0.869
C8	0.938	-0.201	0.000
Cl9	2.701	0.208	0.000
H10	0.785	-1.260	0.000
C11	0.000	0.741	0.000
H12	0.300	1.776	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0859	1.0867	1.0867	1.5391	2.1612	2.1612	2.9791	4.7887	2.7336	2.5965	3.5567
H2	1.0859		1.7545	1.7545	2.1662	2.4797	2.4797	4.0483	5.8587	3.8093	3.5145	4.3649
H3	1.0867	1.7545		1.7611	2.1852	3.0724	2.5259	2.9646	4.6891	2.5280	2.8849	3.8849
H4	1.0867	1.7545	1.7611		2.1852	2.5259	3.0724	2.9646	4.6891	2.5280	2.8849	3.8849
C5	1.5391	2.1662	2.1852	2.1852		1.0888	1.0888	2.5325	4.2104	2.8755	1.5215	2.2149
H6	2.1612	2.4797	3.0724	2.5259	1.0888		1.7376	3.2166	4.7684	3.6245	2.1237	2.5127
H7	2.1612	2.4797	2.5259	3.0724	1.0888	1.7376		3.2166	4.7684	3.6245	2.1237	2.5127
C8	2.9791	4.0483	2.9646	2.9646	2.5325	3.2166	3.2166		1.8105	1.0694	1.3291	2.0771
Cl9	4.7887	5.8587	4.6891	4.6891	4.2104	4.7684	4.7684	1.8105		2.4136	2.7533	2.8674
H10	2.7336	3.8093	2.5280	2.5280	2.8755	3.6245	3.6245	1.0694	2.4136		2.1491	3.0740
C11	2.5965	3.5145	2.8849	2.8849	1.5215	2.1237	2.1237	1.3291	2.7533	2.1491		1.0777
H12	3.5567	4.3649	3.8849	3.8849	2.2149	2.5127	2.5127	2.0771	2.8674	3.0740	1.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.467	C1	C5	H7	109.467
C1	C5	C11	116.071	H2	C1	H3	107.713
H2	C1	H4	107.713	H2	C1	C5	110.024
H3	C1	H4	108.248	H3	C1	C5	111.494
H4	C1	C5	111.494	C5	C11	C8	125.216
C5	C11	H12	115.835	H6	C5	H7	105.867
H6	C5	C11	107.738	H7	C5	C11	107.738
C8	C11	H12	118.950	Cl9	C8	H10	111.255
Cl9	C8	C11	121.804	H10	C8	C11	126.941

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.474
2	H	0.153
3	H	0.150
4	H	0.150
5	C	-0.306
6	H	0.151
7	H	0.151
8	C	-0.408
9	Cl	-0.071
10	H	0.230
11	C	0.089
12	H	0.186

	x	y	z	Total
	-3.183	-0.150	0.000	3.187
CHELPG
AIM
ESP

	x	y	z
x	11.342	-0.592	0.000
y	-0.592	7.202	0.000
z	0.000	0.000	5.091

<r²>	148.751
(<r²>)^1/2	12.196

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

using model chemistry: HF/CEP-121G

States and conformations

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