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	hartrees
Energy at 0K	-616.454841
Energy at 298.15K	-616.462041
HF Energy	-616.454841
Nuclear repulsion energy	203.734215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3103	8.17
2	A'	3202	3043	7.14
3	A'	3161	3004	25.23
4	A'	3076	2923	18.01
5	A'	3049	2898	25.11
6	A'	1738	1651	14.96
7	A'	1536	1460	5.85
8	A'	1501	1427	2.67
9	A'	1441	1370	10.32
10	A'	1396	1327	16.16
11	A'	1338	1272	1.41
12	A'	1279	1216	4.99
13	A'	1128	1072	2.24
14	A'	1058	1005	7.20
15	A'	915	869	9.16
16	A'	859	816	62.71
17	A'	529	503	2.20
18	A'	332	315	0.91
19	A'	185	176	0.42
20	A"	3152	2996	26.73
21	A"	3078	2925	13.32
22	A"	1527	1451	8.33
23	A"	1306	1241	0.05
24	A"	1116	1060	1.49
25	A"	983	934	41.69
26	A"	839	797	8.32
27	A"	734	698	0.60
28	A"	303	288	0.83
29	A"	203	193	0.47
30	A"	151	144	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.899	-1.699	0.000
H2	2.436	-2.652	0.000
H3	2.215	-1.138	0.886
H4	2.215	-1.138	-0.886
C5	0.395	-1.936	0.000
H6	0.118	-2.545	-0.872
H7	0.118	-2.545	0.872
C8	0.000	0.541	0.000
Cl9	-1.035	1.934	0.000
H10	1.052	0.802	0.000
C11	-0.462	-0.705	0.000
H12	-1.540	-0.863	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0943	1.0957	1.0957	1.5220	2.1563	2.1563	2.9365	4.6699	2.6412	2.5617	3.5389
H2	1.0943		1.7683	1.7683	2.1634	2.4799	2.4799	4.0165	5.7521	3.7219	3.4920	4.3606
H3	1.0957	1.7683		1.7730	2.1757	3.0778	2.5257	2.9175	4.5595	2.4302	2.8533	3.8680
H4	1.0957	1.7683	1.7730		2.1757	2.5257	3.0778	2.9175	4.5595	2.4302	2.8533	3.8680
C5	1.5220	2.1634	2.1757	2.1757		1.0999	1.0999	2.5081	4.1256	2.8159	1.5000	2.2128
H6	2.1563	2.4799	3.0778	2.5257	1.0999		1.7449	3.2094	4.7068	3.5836	2.1176	2.5180
H7	2.1563	2.4799	2.5257	3.0778	1.0999	1.7449		3.2094	4.7068	3.5836	2.1176	2.5180
C8	2.9365	4.0165	2.9175	2.9175	2.5081	3.2094	3.2094		1.7356	1.0838	1.3290	2.0835
Cl9	4.6699	5.7521	4.5595	4.5595	4.1256	4.7068	4.7068	1.7356		2.3741	2.7004	2.8415
H10	2.6412	3.7219	2.4302	2.4302	2.8159	3.5836	3.5836	1.0838	2.3741		2.1366	3.0804
C11	2.5617	3.4920	2.8533	2.8533	1.5000	2.1176	2.1176	1.3290	2.7004	2.1366		1.0890
H12	3.5389	4.3606	3.8680	3.8680	2.2128	2.5180	2.5180	2.0835	2.8415	3.0804	1.0890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.601	C1	C5	H7	109.601
C1	C5	C11	115.922	H2	C1	H3	107.693
H2	C1	H4	107.693	H2	C1	C5	110.494
H3	C1	H4	108.012	H3	C1	C5	111.394
H4	C1	C5	111.394	C5	C11	C8	124.777
C5	C11	H12	116.553	H6	C5	H7	104.967
H6	C5	C11	108.088	H7	C5	C11	108.088
C8	C11	H12	118.670	Cl9	C8	H10	112.660
Cl9	C8	C11	123.017	H10	C8	C11	124.323

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

using model chemistry: PBE1PBE/6-31G*

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	-0.539
2	H	0.182
3	H	0.182
4	H	0.182
5	C	-0.361
6	H	0.188
7	H	0.188
8	C	-0.318
9	Cl	-0.016
10	H	0.215
11	C	-0.088
12	H	0.186

	x	y	z	Total
	1.007	-1.971	0.000	2.213
CHELPG
AIM
ESP

	x	y	z
x	7.421	-1.263	0.000
y	-1.263	10.764	0.000
z	0.000	0.000	4.917

<r²>	220.267
(<r²>)^1/2	14.841

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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