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	hartrees
Energy at 0K	-616.569926
Energy at 298.15K	-616.562780
HF Energy	-616.834309
Nuclear repulsion energy	202.957360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3119	8.43
2	A'	3165	3054	6.51
3	A'	3113	3004	28.22
4	A'	3039	2932	18.42
5	A'	3006	2901	26.73
6	A'	1699	1639	12.56
7	A'	1509	1456	3.49
8	A'	1473	1421	1.52
9	A'	1415	1365	4.56
10	A'	1374	1326	23.16
11	A'	1324	1278	2.34
12	A'	1252	1209	7.03
13	A'	1100	1062	1.21
14	A'	1043	1007	6.98
15	A'	888	857	7.74
16	A'	825	796	59.09
17	A'	520	501	3.74
18	A'	324	313	0.91
19	A'	182	175	0.50
20	A"	3106	2997	28.33
21	A"	3026	2920	14.68
22	A"	1500	1448	5.50
23	A"	1290	1245	0.16
24	A"	1107	1068	1.69
25	A"	982	948	27.82
26	A"	834	805	5.57
27	A"	732	707	0.45
28	A"	295	285	0.57
29	A"	199	192	0.24
30	A"	147	142	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	1.924	-1.703	0.000
H2	2.459	-2.657	0.000
H3	2.242	-1.143	0.885
H4	2.242	-1.143	-0.885
C5	0.413	-1.937	0.000
H6	0.135	-2.548	-0.871
H7	0.135	-2.548	0.871
C8	0.000	0.544	0.000
Cl9	-1.062	1.934	0.000
H10	1.043	0.829	0.000
C11	-0.450	-0.704	0.000
H12	-1.524	-0.870	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0935	1.0948	1.0948	1.5295	2.1623	2.1623	2.9583	4.7060	2.6809	2.5757	3.5478
H2	1.0935		1.7671	1.7671	2.1686	2.4842	2.4842	4.0362	5.7856	3.7624	3.5033	4.3654
H3	1.0948	1.7671		1.7706	2.1821	3.0824	2.5332	2.9424	4.6012	2.4720	2.8678	3.8790
H4	1.0948	1.7671	1.7706		2.1821	2.5332	3.0824	2.9424	4.6012	2.4720	2.8678	3.8790
C5	1.5295	2.1686	2.1821	2.1821		1.0994	1.0994	2.5155	4.1428	2.8370	1.5051	2.2117
H6	2.1623	2.4842	3.0824	2.5332	1.0994		1.7417	3.2152	4.7201	3.6037	2.1214	2.5151
H7	2.1623	2.4842	2.5332	3.0824	1.0994	1.7417		3.2152	4.7201	3.6037	2.1214	2.5151
C8	2.9583	4.0362	2.9424	2.9424	2.5155	3.2152	3.2152		1.7493	1.0810	1.3267	2.0794
Cl9	4.7060	5.7856	4.6012	4.6012	4.1428	4.7201	4.7201	1.7493		2.3774	2.7082	2.8421
H10	2.6809	3.7624	2.4720	2.4720	2.8370	3.6037	3.6037	1.0810	2.3774		2.1396	3.0785
C11	2.5757	3.5033	2.8678	2.8678	1.5051	2.1214	2.1214	1.3267	2.7082	2.1396		1.0873
H12	3.5478	4.3654	3.8790	3.8790	2.2117	2.5151	2.5151	2.0794	2.8421	3.0785	1.0873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.617	C1	C5	H7	109.617
C1	C5	C11	115.995	H2	C1	H3	107.731
H2	C1	H4	107.731	H2	C1	C5	110.364
H3	C1	H4	108.005	H3	C1	C5	111.426
H4	C1	C5	111.426	C5	C11	C8	125.264
C5	C11	H12	115.877	H6	C5	H7	105.121
H6	C5	C11	107.963	H7	C5	C11	107.963
C8	C11	H12	118.859	Cl9	C8	H10	112.066
Cl9	C8	C11	122.920	H10	C8	C11	125.014

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

using model chemistry: G4

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	-0.388
2	H	0.119
3	H	0.125
4	H	0.125
5	C	-0.211
6	H	0.118
7	H	0.118
8	C	-0.089
9	Cl	-0.155
10	H	0.137
11	C	-0.008
12	H	0.111

	x	y	z	Total
	1.039	-1.944	0.000	2.204
CHELPG
AIM
ESP

<r²>	222.434
(<r²>)^1/2	14.914

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

using model chemistry: G4

States and conformations

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