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	hartrees
Energy at 0K	-613.332430
Energy at 298.15K	-613.339433
Nuclear repulsion energy	199.745725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3175	4.56
2	A'	3109	3081	3.17
3	A'	3064	3036	22.36
4	A'	2986	2959	14.78
5	A'	2962	2935	15.74
6	A'	1659	1644	19.24
7	A'	1523	1510	8.51
8	A'	1480	1467	4.20
9	A'	1410	1397	11.33
10	A'	1344	1332	15.08
11	A'	1306	1294	8.23
12	A'	1227	1216	5.94
13	A'	1069	1059	0.17
14	A'	1041	1031	2.61
15	A'	867	859	6.33
16	A'	757	750	71.53
17	A'	495	490	5.00
18	A'	309	306	2.32
19	A'	176	174	0.53
20	A"	3059	3031	23.37
21	A"	2988	2961	7.81
22	A"	1517	1503	9.64
23	A"	1294	1283	0.03
24	A"	1100	1090	1.12
25	A"	940	931	58.48
26	A"	820	812	19.34
27	A"	715	708	0.13
28	A"	284	282	0.99
29	A"	186	184	0.52
30	A"	138	137	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	2.070	-1.552	0.000
H2	2.695	-2.461	0.000
H3	2.323	-0.960	0.897
H4	2.323	-0.960	-0.897
C5	0.574	-1.933	0.000
H6	0.349	-2.560	-0.887
H7	0.349	-2.560	0.887
C8	0.000	0.520	0.000
Cl9	-1.245	1.877	0.000
H10	1.016	0.909	0.000
C11	-0.384	-0.756	0.000
H12	-1.454	-0.992	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1033	1.1044	1.1044	1.5433	2.1820	2.1820	2.9292	4.7693	2.6774	2.5796	3.5679
H2	1.1033		1.7883	1.7883	2.1858	2.5099	2.5099	4.0192	5.8603	3.7654	3.5198	4.4014
H3	1.1044	1.7883		1.7942	2.1928	3.1041	2.5403	2.8965	4.6453	2.4504	2.8584	3.8817
H4	1.1044	1.7883	1.7942		2.1928	2.5403	3.1041	2.8965	4.6453	2.4504	2.8584	3.8817
C5	1.5433	2.1858	2.1928	2.1928		1.1089	1.1089	2.5195	4.2217	2.8759	1.5177	2.2356
H6	2.1820	2.5099	3.1041	2.5403	1.1089		1.7736	3.2240	4.7968	3.6416	2.1396	2.5484
H7	2.1820	2.5099	2.5403	3.1041	1.1089	1.7736		3.2240	4.7968	3.6416	2.1396	2.5484
C8	2.9292	4.0192	2.8965	2.8965	2.5195	3.2240	3.2240		1.8412	1.0876	1.3324	2.0980
Cl9	4.7693	5.8603	4.6453	4.6453	4.2217	4.7968	4.7968	1.8412		2.4593	2.7697	2.8767
H10	2.6774	3.7654	2.4504	2.4504	2.8759	3.6416	3.6416	1.0876	2.4593		2.1747	3.1167
C11	2.5796	3.5198	2.8584	2.8584	1.5177	2.1396	2.1396	1.3324	2.7697	2.1747		1.0960
H12	3.5679	4.4014	3.8817	3.8817	2.2356	2.5484	2.5484	2.0980	2.8767	3.1167	1.0960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.628	C1	C5	H7	109.628
C1	C5	C11	114.860	H2	C1	H3	108.194
H2	C1	H4	108.194	H2	C1	C5	110.254
H3	C1	H4	108.638	H3	C1	C5	110.738
H4	C1	C5	110.738	C5	C11	C8	124.127
C5	C11	H12	116.665	H6	C5	H7	106.196
H6	C5	C11	108.081	H7	C5	C11	108.081
C8	C11	H12	119.208	Cl9	C8	H10	111.612
Cl9	C8	C11	120.718	H10	C8	C11	127.671

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

using model chemistry: PBEPBE/3-21G

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	-0.607
2	H	0.213
3	H	0.213
4	H	0.213
5	C	-0.463
6	H	0.230
7	H	0.230
8	C	-0.426
9	Cl	0.036
10	H	0.253
11	C	-0.121
12	H	0.228

	x	y	z	Total
	1.481	-2.288	0.000	2.725
CHELPG
AIM
ESP

	x	y	z
x	7.455	-1.884	0.000
y	-1.884	10.356	0.000
z	0.000	0.000	4.227

<r²>	228.303
(<r²>)^1/2	15.110

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

using model chemistry: PBEPBE/3-21G

States and conformations

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