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	hartrees
Energy at 0K	-616.840238
Energy at 298.15K	-616.847451
Nuclear repulsion energy	203.876849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3098	10.14
2	A'	3184	3038	9.09
3	A'	3138	2995	33.76
4	A'	3060	2921	22.51
5	A'	3038	2900	29.44
6	A'	1724	1645	16.41
7	A'	1529	1459	6.94
8	A'	1492	1424	4.19
9	A'	1434	1368	11.32
10	A'	1392	1328	15.10
11	A'	1338	1277	1.35
12	A'	1276	1218	5.65
13	A'	1122	1071	1.57
14	A'	1055	1007	7.37
15	A'	908	867	8.63
16	A'	847	808	68.94
17	A'	528	504	3.03
18	A'	330	315	0.69
19	A'	183	175	0.42
20	A"	3131	2988	36.19
21	A"	3061	2921	14.54
22	A"	1524	1454	10.30
23	A"	1309	1249	0.13
24	A"	1115	1064	1.80
25	A"	978	933	51.19
26	A"	838	800	9.48
27	A"	731	698	0.20
28	A"	304	290	0.87
29	A"	203	194	0.84
30	A"	151	144	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.903	-1.698	0.000
H2	2.438	-2.649	0.000
H3	2.224	-1.141	0.883
H4	2.224	-1.141	-0.883
C5	0.401	-1.932	0.000
H6	0.122	-2.540	-0.869
H7	0.122	-2.540	0.869
C8	0.000	0.540	0.000
Cl9	-1.043	1.931	0.000
H10	1.046	0.811	0.000
C11	-0.456	-0.703	0.000
H12	-1.531	-0.862	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0912	1.0926	1.0926	1.5199	2.1530	2.1530	2.9375	4.6743	2.6520	2.5604	3.5345
H2	1.0912		1.7608	1.7608	2.1599	2.4763	2.4763	4.0141	5.7529	3.7302	3.4879	4.3532
H3	1.0926	1.7608		1.7668	2.1743	3.0733	2.5246	2.9241	4.5705	2.4455	2.8556	3.8676
H4	1.0926	1.7608	1.7668		2.1743	2.5246	3.0733	2.9241	4.5705	2.4455	2.8556	3.8676
C5	1.5199	2.1599	2.1743	2.1743		1.0970	1.0970	2.5036	4.1237	2.8180	1.4981	2.2085
H6	2.1530	2.4763	3.0733	2.5246	1.0970		1.7383	3.2023	4.7014	3.5836	2.1128	2.5108
H7	2.1530	2.4763	2.5246	3.0733	1.0970	1.7383		3.2023	4.7014	3.5836	2.1128	2.5108
C8	2.9375	4.0141	2.9241	2.9241	2.5036	3.2023	3.2023		1.7389	1.0808	1.3238	2.0761
Cl9	4.6743	5.7529	4.5705	4.5705	4.1237	4.7014	4.7014	1.7389		2.3700	2.6987	2.8356
H10	2.6520	3.7302	2.4455	2.4455	2.8180	3.5836	3.5836	1.0808	2.3700		2.1333	3.0731
C11	2.5604	3.4879	2.8556	2.8556	1.4981	2.1128	2.1128	1.3238	2.6987	2.1333		1.0868
H12	3.5345	4.3532	3.8676	3.8676	2.2085	2.5108	2.5108	2.0761	2.8356	3.0731	1.0868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.659	C1	C5	H7	109.659
C1	C5	C11	116.073	H2	C1	H3	107.469
H2	C1	H4	107.469	H2	C1	C5	110.550
H3	C1	H4	107.914	H3	C1	C5	111.621
H4	C1	C5	111.621	C5	C11	C8	124.932
C5	C11	H12	116.487	H6	C5	H7	104.808
H6	C5	C11	108.017	H7	C5	C11	108.017
C8	C11	H12	118.581	Cl9	C8	H10	112.282
Cl9	C8	C11	122.984	H10	C8	C11	124.734

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

using model chemistry: mPW1PW91/6-311G*

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	-0.699
2	H	0.233
3	H	0.233
4	H	0.233
5	C	-0.446
6	H	0.236
7	H	0.236
8	C	-0.326
9	Cl	-0.060
10	H	0.271
11	C	-0.141
12	H	0.231

	x	y	z	Total
	1.009	-2.033	0.000	2.269
CHELPG
AIM
ESP

<r²>	220.686
(<r²>)^1/2	14.856

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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