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	hartrees
Energy at 0K	-616.743695
Energy at 298.15K	-616.750697
Nuclear repulsion energy	200.499882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3143	7.21
2	A'	3082	3076	7.38
3	A'	3032	3026	32.85
4	A'	2961	2956	22.97
5	A'	2931	2926	30.71
6	A'	1623	1620	16.33
7	A'	1445	1442	4.20
8	A'	1415	1412	2.62
9	A'	1357	1355	5.31
10	A'	1316	1314	21.85
11	A'	1282	1279	1.98
12	A'	1212	1210	7.43
13	A'	1063	1061	0.92
14	A'	1009	1007	7.11
15	A'	857	856	6.12
16	A'	785	784	65.91
17	A'	501	500	5.24
18	A'	313	313	1.00
19	A'	176	175	0.42
20	A"	3023	3018	31.79
21	A"	2948	2942	13.79
22	A"	1440	1437	6.64
23	A"	1241	1239	0.35
24	A"	1063	1061	2.03
25	A"	923	921	36.64
26	A"	801	799	6.43
27	A"	707	705	0.14
28	A"	281	281	0.80
29	A"	191	191	0.53
30	A"	139	138	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.957	-1.715	0.000
H2	2.496	-2.680	0.000
H3	2.278	-1.151	0.895
H4	2.278	-1.151	-0.895
C5	0.434	-1.956	0.000
H6	0.155	-2.572	-0.880
H7	0.155	-2.572	0.880
C8	0.000	0.549	0.000
Cl9	-1.092	1.953	0.000
H10	1.050	0.856	0.000
C11	-0.444	-0.718	0.000
H12	-1.530	-0.895	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1047	1.1059	1.1059	1.5412	2.1802	2.1802	2.9926	4.7702	2.7267	2.5998	3.5819
H2	1.1047		1.7850	1.7850	2.1847	2.5027	2.5027	4.0806	5.8598	3.8200	3.5341	4.4035
H3	1.1059	1.7850		1.7901	2.2016	3.1106	2.5542	2.9797	4.6683	2.5173	2.8979	3.9199
H4	1.1059	1.7850	1.7901		2.2016	2.5542	3.1106	2.9797	4.6683	2.5173	2.8979	3.9199
C5	1.5412	2.1847	2.2016	2.2016		1.1102	1.1102	2.5418	4.1964	2.8783	1.5175	2.2324
H6	2.1802	2.5027	3.1106	2.5542	1.1102		1.7609	3.2460	4.7757	3.6504	2.1377	2.5352
H7	2.1802	2.5027	2.5542	3.1106	1.1102	1.7609		3.2460	4.7757	3.6504	2.1377	2.5352
C8	2.9926	4.0806	2.9797	2.9797	2.5418	3.2460	3.2460		1.7791	1.0940	1.3427	2.1036
Cl9	4.7702	5.8598	4.6683	4.6683	4.1964	4.7757	4.7757	1.7791		2.4066	2.7491	2.8817
H10	2.7267	3.8200	2.5173	2.5173	2.8783	3.6504	3.6504	1.0940	2.4066		2.1706	3.1180
C11	2.5998	3.5341	2.8979	2.8979	1.5175	2.1377	2.1377	1.3427	2.7491	2.1706		1.1000
H12	3.5819	4.4035	3.9199	3.9199	2.2324	2.5352	2.5352	2.1036	2.8817	3.1180	1.1000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.554	C1	C5	H7	109.554
C1	C5	C11	116.416	H2	C1	H3	107.700
H2	C1	H4	107.700	H2	C1	C5	110.233
H3	C1	H4	108.066	H3	C1	C5	111.490
H4	C1	C5	111.490	C5	C11	C8	125.300
C5	C11	H12	116.143	H6	C5	H7	104.939
H6	C5	C11	107.876	H7	C5	C11	107.876
C8	C11	H12	118.556	Cl9	C8	H10	111.550
Cl9	C8	C11	122.816	H10	C8	C11	125.633

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.946
2	H	-0.477
3	H	-0.227
4	H	-0.227
5	C	1.071
6	H	-0.354
7	H	-0.354
8	C	-0.029
9	Cl	-0.221
10	H	-0.947
11	C	1.570
12	H	-0.753

	x	y	z	Total
	1.063	-1.992	0.000	2.258
CHELPG
AIM
ESP

	x	y	z
x	10.094	-1.646	0.000
y	-1.646	13.479	0.000
z	0.000	0.000	7.680

<r²>	228.425
(<r²>)^1/2	15.114

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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