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	hartrees
Energy at 0K	-41.669179
Energy at 298.15K	-41.676259
Nuclear repulsion energy	88.014733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3136	10.15
2	A'	3135	3055	12.32
3	A'	3079	3001	53.26
4	A'	2990	2914	26.61
5	A'	2973	2898	43.30
6	A'	1659	1616	19.09
7	A'	1530	1491	8.17
8	A'	1504	1465	3.33
9	A'	1437	1400	8.84
10	A'	1376	1341	20.48
11	A'	1321	1287	4.72
12	A'	1248	1216	8.84
13	A'	1101	1072	0.46
14	A'	1052	1025	2.67
15	A'	876	854	6.26
16	A'	782	762	71.59
17	A'	502	489	5.94
18	A'	312	304	1.96
19	A'	176	172	0.55
20	A"	3075	2997	56.77
21	A"	3006	2929	20.27
22	A"	1528	1489	9.92
23	A"	1290	1257	0.36
24	A"	1115	1087	1.90
25	A"	968	944	58.44
26	A"	829	807	16.35
27	A"	730	711	0.05
28	A"	287	280	1.02
29	A"	192	187	0.48
30	A"	129	125	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	-1.953	-0.977	0.000
H2	-3.048	-1.044	0.000
H3	-1.586	-1.506	0.889
H4	-1.586	-1.506	-0.889
C5	-1.508	0.506	0.000
H6	-1.936	1.019	-0.877
H7	-1.936	1.019	0.877
C8	0.935	-0.213	0.000
Cl9	2.730	0.174	0.000
H10	0.769	-1.283	0.000
C11	0.000	0.755	0.000
H12	0.317	1.799	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0973	1.0983	1.0983	1.5481	2.1798	2.1798	2.9876	4.8223	2.7389	2.6102	3.5858
H2	1.0973		1.7732	1.7732	2.1849	2.5023	2.5023	4.0693	5.9051	3.8244	3.5394	4.4053
H3	1.0983	1.7732		1.7787	2.2014	3.1014	2.5490	2.9696	4.7158	2.5265	2.9015	3.9161
H4	1.0983	1.7732	1.7787		2.2014	2.5490	3.1014	2.9696	4.7158	2.5265	2.9015	3.9161
C5	1.5481	2.1849	2.2014	2.2014		1.1024	1.1024	2.5470	4.2511	2.8959	1.5286	2.2368
H6	2.1798	2.5023	3.1014	2.5490	1.1024		1.7548	3.2448	4.8219	3.6582	2.1415	2.5404
H7	2.1798	2.5023	2.5490	3.1014	1.1024	1.7548		3.2448	4.8219	3.6582	2.1415	2.5404
C8	2.9876	4.0693	2.9696	2.9696	2.5470	3.2448	3.2448		1.8359	1.0833	1.3460	2.1047
Cl9	4.8223	5.9051	4.7158	4.7158	4.2511	4.8219	4.8219	1.8359		2.4435	2.7910	2.9089
H10	2.7389	3.8244	2.5265	2.5265	2.8959	3.6582	3.6582	1.0833	2.4435		2.1785	3.1152
C11	2.6102	3.5394	2.9015	2.9015	1.5286	2.1415	2.1415	1.3460	2.7910	2.1785		1.0910
H12	3.5858	4.4053	3.9161	3.9161	2.2368	2.5404	2.5404	2.1047	2.9089	3.1152	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.507	C1	C5	H7	109.507
C1	C5	C11	116.072	H2	C1	H3	107.724
H2	C1	H4	107.724	H2	C1	C5	110.202
H3	C1	H4	108.144	H3	C1	C5	111.447
H4	C1	C5	111.447	C5	C11	C8	124.645
C5	C11	H12	116.270	H6	C5	H7	105.481
H6	C5	C11	107.870	H7	C5	C11	107.870
C8	C11	H12	119.086	Cl9	C8	H10	111.018
Cl9	C8	C11	121.848	H10	C8	C11	127.134

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

using model chemistry: B3LYP/CEP-121G

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	-0.495
2	H	0.151
3	H	0.154
4	H	0.154
5	C	-0.304
6	H	0.153
7	H	0.153
8	C	-0.400
9	Cl	-0.019
10	H	0.204
11	C	0.086
12	H	0.161

	x	y	z	Total
	-2.784	-0.110	0.000	2.786
CHELPG
AIM
ESP

	x	y	z
x	12.262	-0.455	0.000
y	-0.455	7.650	0.000
z	0.000	0.000	5.368

<r²>	150.362
(<r²>)^1/2	12.262

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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