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	hartrees
Energy at 0K	-616.390102
Energy at 298.15K	-616.397143
Nuclear repulsion energy	202.137368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3124	8.60
2	A'	3106	3062	8.69
3	A'	3070	3026	26.15
4	A'	2989	2946	19.21
5	A'	2952	2910	27.27
6	A'	1662	1638	15.46
7	A'	1491	1470	5.51
8	A'	1453	1432	2.18
9	A'	1392	1372	7.89
10	A'	1345	1326	21.76
11	A'	1293	1275	1.11
12	A'	1233	1215	4.84
13	A'	1089	1074	2.32
14	A'	1025	1010	7.12
15	A'	884	871	8.45
16	A'	818	807	65.32
17	A'	510	503	2.46
18	A'	320	316	1.09
19	A'	179	176	0.39
20	A"	3061	3017	27.48
21	A"	2976	2933	15.13
22	A"	1482	1461	7.46
23	A"	1263	1245	0.02
24	A"	1075	1060	1.17
25	A"	937	924	37.55
26	A"	800	788	9.11
27	A"	702	692	0.19
28	A"	294	289	0.91
29	A"	195	192	0.51
30	A"	148	145	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.914	-1.713	0.000
H2	2.455	-2.673	0.000
H3	2.234	-1.147	0.893
H4	2.234	-1.147	-0.893
C5	0.401	-1.948	0.000
H6	0.121	-2.565	-0.878
H7	0.121	-2.565	0.878
C8	0.000	0.544	0.000
Cl9	-1.046	1.949	0.000
H10	1.058	0.813	0.000
C11	-0.464	-0.713	0.000
H12	-1.550	-0.875	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1024	1.1038	1.1038	1.5315	2.1709	2.1709	2.9593	4.7090	2.6672	2.5801	3.5639
H2	1.1024		1.7814	1.7814	2.1784	2.4961	2.4961	4.0472	5.7989	3.7561	3.5165	4.3902
H3	1.1038	1.7814		1.7852	2.1905	3.0999	2.5445	2.9411	4.5986	2.4546	2.8753	3.8972
H4	1.1038	1.7814	1.7852		2.1905	2.5445	3.0999	2.9411	4.5986	2.4546	2.8753	3.8972
C5	1.5315	2.1784	2.1905	2.1905		1.1090	1.1090	2.5243	4.1575	2.8386	1.5079	2.2265
H6	2.1709	2.4961	3.0999	2.5445	1.1090		1.7560	3.2330	4.7448	3.6143	2.1314	2.5337
H7	2.1709	2.4961	2.5445	3.0999	1.1090	1.7560		3.2330	4.7448	3.6143	2.1314	2.5337
C8	2.9593	4.0472	2.9411	2.9411	2.5243	3.2330	3.2330		1.7518	1.0919	1.3403	2.1010
Cl9	4.7090	5.7989	4.5986	4.5986	4.1575	4.7448	4.7448	1.7518		2.3913	2.7254	2.8687
H10	2.6672	3.7561	2.4546	2.4546	2.8386	3.6143	3.6143	1.0919	2.3913		2.1561	3.1065
C11	2.5801	3.5165	2.8753	2.8753	1.5079	2.1314	2.1314	1.3403	2.7254	2.1561		1.0973
H12	3.5639	4.3902	3.8972	3.8972	2.2265	2.5337	2.5337	2.1010	2.8687	3.1065	1.0973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.568	C1	C5	H7	109.568
C1	C5	C11	116.178	H2	C1	H3	107.694
H2	C1	H4	107.694	H2	C1	C5	110.543
H3	C1	H4	107.923	H3	C1	C5	111.411
H4	C1	C5	111.411	C5	C11	C8	124.710
C5	C11	H12	116.558	H6	C5	H7	104.690
H6	C5	C11	108.104	H7	C5	C11	108.104
C8	C11	H12	118.732	Cl9	C8	H10	112.383
Cl9	C8	C11	123.070	H10	C8	C11	124.547

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

using model chemistry: PBEPBE/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	-0.498
2	H	0.166
3	H	0.168
4	H	0.168
5	C	-0.328
6	H	0.171
7	H	0.171
8	C	-0.294
9	Cl	-0.018
10	H	0.191
11	C	-0.057
12	H	0.159

	x	y	z	Total
	0.999	-1.926	0.000	2.170
CHELPG
AIM
ESP

	x	y	z
x	7.715	-1.447	0.000
y	-1.447	11.208	0.000
z	0.000	0.000	5.005

<r²>	223.454
(<r²>)^1/2	14.948

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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