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	hartrees
Energy at 0K	-616.817913
Energy at 298.15K	-616.825051
Nuclear repulsion energy	202.492982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3111	9.07
2	A'	3175	3042	8.62
3	A'	3125	2994	31.61
4	A'	3053	2924	19.78
5	A'	3018	2892	29.50
6	A'	1713	1641	14.92
7	A'	1539	1474	4.30
8	A'	1505	1442	1.42
9	A'	1442	1382	6.11
10	A'	1393	1334	24.81
11	A'	1339	1283	1.93
12	A'	1279	1226	5.96
13	A'	1108	1062	0.83
14	A'	1053	1008	5.87
15	A'	893	856	6.17
16	A'	831	796	65.23
17	A'	520	498	3.74
18	A'	327	313	1.12
19	A'	183	175	0.48
20	A"	3118	2987	33.68
21	A"	3039	2911	18.07
22	A"	1530	1466	6.32
23	A"	1305	1251	0.09
24	A"	1117	1070	1.28
25	A"	978	937	35.59
26	A"	833	798	8.12
27	A"	731	701	0.15
28	A"	297	285	0.67
29	A"	197	189	0.30
30	A"	145	138	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.925	-1.709	0.000
H2	2.459	-2.664	0.000
H3	2.244	-1.149	0.887
H4	2.244	-1.149	-0.887
C5	0.413	-1.943	0.000
H6	0.135	-2.553	-0.873
H7	0.135	-2.553	0.873
C8	0.000	0.543	0.000
Cl9	-1.062	1.942	0.000
H10	1.046	0.823	0.000
C11	-0.453	-0.708	0.000
H12	-1.529	-0.875	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0948	1.0959	1.0959	1.5305	2.1628	2.1628	2.9627	4.7165	2.6797	2.5799	3.5530
H2	1.0948		1.7691	1.7691	2.1700	2.4848	2.4848	4.0420	5.7975	3.7626	3.5082	4.3710
H3	1.0959	1.7691		1.7731	2.1838	3.0841	2.5331	2.9467	4.6109	2.4712	2.8724	3.8847
H4	1.0959	1.7691	1.7731		2.1838	2.5331	3.0841	2.9467	4.6109	2.4712	2.8724	3.8847
C5	1.5305	2.1700	2.1838	2.1838		1.1004	1.1004	2.5202	4.1548	2.8372	1.5081	2.2157
H6	2.1628	2.4848	3.0841	2.5331	1.1004		1.7457	3.2198	4.7324	3.6036	2.1242	2.5194
H7	2.1628	2.4848	2.5331	3.0841	1.1004	1.7457		3.2198	4.7324	3.6036	2.1242	2.5194
C8	2.9627	4.0420	2.9467	2.9467	2.5202	3.2198	3.2198		1.7556	1.0828	1.3304	2.0851
Cl9	4.7165	5.7975	4.6109	4.6109	4.1548	4.7324	4.7324	1.7556		2.3862	2.7184	2.8549
H10	2.6797	3.7626	2.4712	2.4712	2.8372	3.6036	3.6036	1.0828	2.3862		2.1421	3.0839
C11	2.5799	3.5082	2.8724	2.8724	1.5081	2.1242	2.1242	1.3304	2.7184	2.1421		1.0889
H12	3.5530	4.3710	3.8847	3.8847	2.2157	2.5194	2.5194	2.0851	2.8549	3.0839	1.0889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.500	C1	C5	H7	109.500
C1	C5	C11	116.215	H2	C1	H3	107.715
H2	C1	H4	107.715	H2	C1	C5	110.398
H3	C1	H4	107.988	H3	C1	C5	111.433
H4	C1	C5	111.433	C5	C11	C8	125.095
C5	C11	H12	116.192	H6	C5	H7	104.968
H6	C5	C11	108.029	H7	C5	C11	108.029
C8	C11	H12	118.713	Cl9	C8	H10	112.250
Cl9	C8	C11	122.906	H10	C8	C11	124.844

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

using model chemistry: B3LYPultrafine/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	-0.456
2	H	0.151
3	H	0.154
4	H	0.154
5	C	-0.290
6	H	0.156
7	H	0.156
8	C	-0.265
9	Cl	-0.041
10	H	0.184
11	C	-0.054
12	H	0.151

	x	y	z
x	7.493	-1.340	0.000
y	-1.340	10.841	0.000
z	0.000	0.000	4.916

<r²>	223.452
(<r²>)^1/2	14.948

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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