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	hartrees
Energy at 0K	-616.844487
Energy at 298.15K	-616.851655
Nuclear repulsion energy	202.182698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3127	7.98
2	A'	3161	3066	6.70
3	A'	3109	3016	28.45
4	A'	3033	2942	19.35
5	A'	3005	2915	29.66
6	A'	1701	1650	13.72
7	A'	1482	1437	3.51
8	A'	1446	1403	2.46
9	A'	1403	1361	6.22
10	A'	1366	1325	19.61
11	A'	1309	1269	1.06
12	A'	1239	1202	6.93
13	A'	1104	1071	2.13
14	A'	1042	1011	7.02
15	A'	893	866	8.13
16	A'	825	800	61.60
17	A'	521	505	3.96
18	A'	325	315	0.99
19	A'	183	177	0.38
20	A"	3104	3011	29.45
21	A"	3026	2935	15.83
22	A"	1472	1428	5.95
23	A"	1282	1244	0.12
24	A"	1096	1063	1.64
25	A"	968	939	32.92
26	A"	827	802	8.04
27	A"	727	706	0.32
28	A"	302	293	0.62
29	A"	200	194	0.52
30	A"	150	145	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.932	-1.706	0.000
H2	2.471	-2.666	0.000
H3	2.255	-1.143	0.891
H4	2.255	-1.143	-0.891
C5	0.422	-1.941	0.000
H6	0.141	-2.555	-0.876
H7	0.141	-2.555	0.876
C8	0.000	0.547	0.000
Cl9	-1.072	1.939	0.000
H10	1.051	0.834	0.000
C11	-0.447	-0.709	0.000
H12	-1.529	-0.878	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1011	1.1024	1.1024	1.5284	2.1677	2.1677	2.9681	4.7235	2.6885	2.5796	3.5592
H2	1.1011		1.7779	1.7779	2.1742	2.4925	2.4925	4.0536	5.8105	3.7771	3.5138	4.3821
H3	1.1024	1.7779		1.7820	2.1886	3.0965	2.5427	2.9553	4.6216	2.4799	2.8778	3.8966
H4	1.1024	1.7779	1.7820		2.1886	2.5427	3.0965	2.9553	4.6216	2.4799	2.8778	3.8966
C5	1.5284	2.1742	2.1886	2.1886		1.1068	1.1068	2.5231	4.1571	2.8451	1.5070	2.2218
H6	2.1677	2.4925	3.0965	2.5427	1.1068		1.7526	3.2268	4.7366	3.6173	2.1263	2.5240
H7	2.1677	2.4925	2.5427	3.0965	1.1068	1.7526		3.2268	4.7366	3.6173	2.1263	2.5240
C8	2.9681	4.0536	2.9553	2.9553	2.5231	3.2268	3.2268		1.7569	1.0898	1.3334	2.0901
Cl9	4.7235	5.8105	4.6216	4.6216	4.1571	4.7366	4.7366	1.7569		2.3938	2.7208	2.8533
H10	2.6885	3.7771	2.4799	2.4799	2.8451	3.6173	3.6173	1.0898	2.3938		2.1510	3.0967
C11	2.5796	3.5138	2.8778	2.8778	1.5070	2.1263	2.1263	1.3334	2.7208	2.1510		1.0952
H12	3.5592	4.3821	3.8966	3.8966	2.2218	2.5240	2.5240	2.0901	2.8533	3.0967	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.653	C1	C5	H7	109.653
C1	C5	C11	116.383	H2	C1	H3	107.587
H2	C1	H4	107.587	H2	C1	C5	110.498
H3	C1	H4	107.850	H3	C1	C5	111.568
H4	C1	C5	111.568	C5	C11	C8	125.204
C5	C11	H12	116.357	H6	C5	H7	104.701
H6	C5	C11	107.899	H7	C5	C11	107.899
C8	C11	H12	118.438	Cl9	C8	H10	112.343
Cl9	C8	C11	122.802	H10	C8	C11	124.855

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

using model chemistry: B3LYP/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	-0.030
2	H	0.021
3	H	0.031
4	H	0.031
5	C	-0.010
6	H	0.031
7	H	0.031
8	C	-0.087
9	Cl	-0.089
10	H	0.037
11	C	0.040
12	H	-0.004

	x	y	z	Total
	1.005	-1.859	0.000	2.114
CHELPG
AIM
ESP

	x	y	z
x	8.008	-1.390	0.000
y	-1.390	11.249	0.000
z	0.000	0.000	5.193

<r²>	224.056
(<r²>)^1/2	14.969

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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