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	hartrees
Energy at 0K	-614.853657
Energy at 298.15K	-614.860816
Nuclear repulsion energy	205.148541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3095	7.16
2	A'	3084	3046	4.28
3	A'	3060	3022	15.31
4	A'	2968	2931	15.51
5	A'	2941	2905	15.28
6	A'	1678	1657	16.68
7	A'	1434	1417	9.69
8	A'	1394	1377	9.33
9	A'	1349	1333	17.24
10	A'	1320	1303	6.88
11	A'	1260	1244	0.68
12	A'	1199	1185	3.72
13	A'	1100	1087	4.67
14	A'	1010	998	12.78
15	A'	906	895	9.67
16	A'	836	826	68.90
17	A'	517	511	1.15
18	A'	328	324	0.61
19	A'	189	186	0.33
20	A"	3039	3002	15.77
21	A"	2965	2929	6.44
22	A"	1424	1406	13.30
23	A"	1232	1217	0.02
24	A"	1054	1041	1.34
25	A"	922	911	53.46
26	A"	805	796	10.96
27	A"	704	695	0.81
28	A"	298	295	1.39
29	A"	202	199	1.17
30	A"	170	168	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.874	-1.654	0.000
H2	2.449	-2.591	0.000
H3	2.175	-1.077	0.890
H4	2.175	-1.077	-0.890
C5	0.391	-1.924	0.000
H6	0.119	-2.546	-0.875
H7	0.119	-2.546	0.875
C8	0.000	0.521	0.000
Cl9	-1.018	1.916	0.000
H10	1.062	0.773	0.000
C11	-0.470	-0.717	0.000
H12	-1.556	-0.868	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0997	1.1025	1.1025	1.5075	2.1542	2.1542	2.8710	4.5944	2.5595	2.5242	3.5189
H2	1.0997		1.7772	1.7772	2.1640	2.4899	2.4899	3.9605	5.6866	3.6391	3.4692	4.3605
H3	1.1025	1.7772		1.7792	2.1668	3.0824	2.5273	2.8423	4.4665	2.3355	2.8143	3.8420
H4	1.1025	1.7772	1.7792		2.1668	2.5273	3.0824	2.8423	4.4665	2.3355	2.8143	3.8420
C5	1.5075	2.1640	2.1668	2.1668		1.1072	1.1072	2.4767	4.0907	2.7802	1.4827	2.2151
H6	2.1542	2.4899	3.0824	2.5273	1.1072		1.7504	3.1916	4.6868	3.5599	2.1110	2.5273
H7	2.1542	2.4899	2.5273	3.0824	1.1072	1.7504		3.1916	4.6868	3.5599	2.1110	2.5273
C8	2.8710	3.9605	2.8423	2.8423	2.4767	3.1916	3.1916		1.7269	1.0918	1.3247	2.0860
Cl9	4.5944	5.6866	4.4665	4.4665	4.0907	4.6868	4.6868	1.7269		2.3736	2.6896	2.8354
H10	2.5595	3.6391	2.3355	2.3355	2.7802	3.5599	3.5599	1.0918	2.3736		2.1378	3.0904
C11	2.5242	3.4692	2.8143	2.8143	1.4827	2.1110	2.1110	1.3247	2.6896	2.1378		1.0965
H12	3.5189	4.3605	3.8420	3.8420	2.2151	2.5273	2.5273	2.0860	2.8354	3.0904	1.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.008	C1	C5	H7	110.008
C1	C5	C11	115.160	H2	C1	H3	107.616
H2	C1	H4	107.616	H2	C1	C5	111.241
H3	C1	H4	107.585	H3	C1	C5	111.296
H4	C1	C5	111.296	C5	C11	C8	123.721
C5	C11	H12	117.593	H6	C5	H7	104.458
H6	C5	C11	108.322	H7	C5	C11	108.322
C8	C11	H12	118.686	Cl9	C8	H10	112.775
Cl9	C8	C11	123.083	H10	C8	C11	124.141

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

using model chemistry: LSDA/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	-0.481
2	H	0.160
3	H	0.163
4	H	0.163
5	C	-0.290
6	H	0.171
7	H	0.171
8	C	-0.280
9	Cl	-0.028
10	H	0.193
11	C	-0.101
12	H	0.158

	x	y	z	Total
	0.951	-1.985	0.000	2.201
CHELPG
AIM
ESP

	x	y	z
x	8.367	-1.551	0.000
y	-1.551	11.917	0.000
z	0.000	0.000	5.516

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G**

States and conformations

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