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	hartrees
Energy at 0K	-616.707147
Energy at 298.15K	-616.714308
Nuclear repulsion energy	203.212174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3112	8.38
2	A'	3187	3049	8.14
3	A'	3143	3007	27.96
4	A'	3061	2929	19.63
5	A'	3031	2900	27.69
6	A'	1722	1647	15.02
7	A'	1534	1467	5.44
8	A'	1499	1434	2.31
9	A'	1438	1376	8.85
10	A'	1392	1331	18.88
11	A'	1334	1277	1.47
12	A'	1275	1220	5.45
13	A'	1119	1070	1.83
14	A'	1054	1009	6.46
15	A'	905	865	8.38
16	A'	845	809	64.60
17	A'	525	502	2.67
18	A'	329	314	1.00
19	A'	182	174	0.44
20	A"	3136	3000	29.70
21	A"	3058	2926	15.33
22	A"	1526	1460	7.80
23	A"	1303	1247	0.05
24	A"	1113	1065	1.41
25	A"	977	935	40.83
26	A"	834	798	8.70
27	A"	731	699	0.43
28	A"	300	287	0.81
29	A"	200	192	0.43
30	A"	147	141	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.909	-1.706	0.000
H2	2.443	-2.662	0.000
H3	2.228	-1.147	0.887
H4	2.228	-1.147	-0.887
C5	0.401	-1.938	0.000
H6	0.123	-2.548	-0.873
H7	0.123	-2.548	0.873
C8	0.000	0.543	0.000
Cl9	-1.045	1.938	0.000
H10	1.050	0.813	0.000
C11	-0.458	-0.706	0.000
H12	-1.536	-0.867	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0948	1.0959	1.0959	1.5252	2.1589	2.1589	2.9500	4.6907	2.6618	2.5699	3.5451
H2	1.0948		1.7685	1.7685	2.1657	2.4813	2.4813	4.0297	5.7724	3.7439	3.4989	4.3643
H3	1.0959	1.7685		1.7736	2.1794	3.0809	2.5291	2.9338	4.5842	2.4530	2.8633	3.8769
H4	1.0959	1.7685	1.7736		2.1794	2.5291	3.0809	2.9338	4.5842	2.4530	2.8633	3.8769
C5	1.5252	2.1657	2.1794	2.1794		1.1004	1.1004	2.5137	4.1371	2.8268	1.5028	2.2134
H6	2.1589	2.4813	3.0809	2.5291	1.1004		1.7454	3.2142	4.7165	3.5941	2.1197	2.5172
H7	2.1589	2.4813	2.5291	3.0809	1.1004	1.7454		3.2142	4.7165	3.5941	2.1197	2.5172
C8	2.9500	4.0297	2.9338	2.9338	2.5137	3.2142	3.2142		1.7427	1.0837	1.3303	2.0849
Cl9	4.6907	5.7724	4.5842	4.5842	4.1371	4.7165	4.7165	1.7427		2.3775	2.7077	2.8473
H10	2.6618	3.7439	2.4530	2.4530	2.8268	3.5941	3.5941	1.0837	2.3775		2.1403	3.0832
C11	2.5699	3.4989	2.8633	2.8633	1.5028	2.1197	2.1197	1.3303	2.7077	2.1403		1.0892
H12	3.5451	4.3643	3.8769	3.8769	2.2134	2.5172	2.5172	2.0849	2.8473	3.0832	1.0892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.555	C1	C5	H7	109.555
C1	C5	C11	116.140	H2	C1	H3	107.663
H2	C1	H4	107.663	H2	C1	C5	110.425
H3	C1	H4	108.030	H3	C1	C5	111.448
H4	C1	C5	111.448	C5	C11	C8	124.944
C5	C11	H12	116.377	H6	C5	H7	104.945
H6	C5	C11	108.024	H7	C5	C11	108.024
C8	C11	H12	118.679	Cl9	C8	H10	112.423
Cl9	C8	C11	122.988	H10	C8	C11	124.589

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.526	-0.284
2	H	0.177	0.079
3	H	0.177	0.078
4	H	0.177	0.078
5	C	-0.348	0.113
6	H	0.182	0.023
7	H	0.182	0.023
8	C	-0.309	-0.220
9	Cl	-0.022	-0.098
10	H	0.211	0.198
11	C	-0.082	-0.109
12	H	0.180	0.120

	x	y	z	Total
	1.024	-1.980	0.000	2.229
CHELPG
AIM
ESP	1.085	-1.981	0.000	2.259

<r²>	221.546
(<r²>)^1/2	14.884

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

using model chemistry: B3PW91/6-31G*

States and conformations

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