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	hartrees
Energy at 0K	-616.924359
Energy at 298.15K	-616.931502
HF Energy	-616.924359
Nuclear repulsion energy	203.487538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3112	7.78
2	A'	3151	3051	7.38
3	A'	3097	2999	34.37
4	A'	3027	2932	21.81
5	A'	3002	2906	28.11
6	A'	1682	1629	14.31
7	A'	1518	1469	4.07
8	A'	1481	1434	2.27
9	A'	1419	1374	4.36
10	A'	1373	1329	21.13
11	A'	1323	1282	1.31
12	A'	1252	1212	8.03
13	A'	1099	1064	0.89
14	A'	1038	1005	7.91
15	A'	885	857	7.97
16	A'	824	798	62.73
17	A'	516	499	3.64
18	A'	319	309	0.82
19	A'	174	169	0.41
20	A"	3091	2993	33.67
21	A"	3019	2923	13.36
22	A"	1511	1463	6.68
23	A"	1292	1251	0.31
24	A"	1105	1070	2.16
25	A"	976	945	38.63
26	A"	829	802	5.16
27	A"	727	704	0.40
28	A"	288	279	0.87
29	A"	195	189	0.41
30	A"	153	148	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.914	-1.692	0.000
H2	2.451	-2.642	0.000
H3	2.226	-1.132	0.884
H4	2.226	-1.132	-0.884
C5	0.407	-1.938	0.000
H6	0.131	-2.543	-0.872
H7	0.131	-2.543	0.872
C8	0.000	0.539	0.000
Cl9	-1.051	1.932	0.000
H10	1.044	0.816	0.000
C11	-0.456	-0.706	0.000
H12	-1.529	-0.873	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0914	1.0924	1.0924	1.5274	2.1592	2.1592	2.9395	4.6824	2.6544	2.5670	3.5392
H2	1.0914		1.7648	1.7648	2.1625	2.4806	2.4806	4.0159	5.7609	3.7332	3.4930	4.3559
H3	1.0924	1.7648		1.7688	2.1775	3.0760	2.5253	2.9199	4.5720	2.4434	2.8556	3.8661
H4	1.0924	1.7648	1.7688		2.1775	2.5253	3.0760	2.9199	4.5720	2.4434	2.8556	3.8661
C5	1.5274	2.1625	2.1775	2.1775		1.0961	1.0961	2.5103	4.1356	2.8270	1.5041	2.2094
H6	2.1592	2.4806	3.0760	2.5253	1.0961		1.7442	3.2052	4.7095	3.5879	2.1161	2.5109
H7	2.1592	2.4806	2.5253	3.0760	1.0961	1.7442		3.2052	4.7095	3.5879	2.1161	2.5109
C8	2.9395	4.0159	2.9199	2.9199	2.5103	3.2052	3.2052		1.7451	1.0804	1.3260	2.0813
Cl9	4.6824	5.7609	4.5720	4.5720	4.1356	4.7095	4.7095	1.7451		2.3740	2.7043	2.8455
H10	2.6544	3.7332	2.4434	2.4434	2.8270	3.5879	3.5879	1.0804	2.3740		2.1373	3.0782
C11	2.5670	3.4930	2.8556	2.8556	1.5041	2.1161	2.1161	1.3260	2.7043	2.1373		1.0859
H12	3.5392	4.3559	3.8661	3.8661	2.2094	2.5109	2.5109	2.0813	2.8455	3.0782	1.0859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.678	C1	C5	H7	109.678
C1	C5	C11	115.722	H2	C1	H3	107.823
H2	C1	H4	107.823	H2	C1	C5	110.223
H3	C1	H4	108.113	H3	C1	C5	111.358
H4	C1	C5	111.358	C5	C11	C8	124.882
C5	C11	H12	116.154	H6	C5	H7	105.425
H6	C5	C11	107.912	H7	C5	C11	107.912
C8	C11	H12	118.964	Cl9	C8	H10	112.179
Cl9	C8	C11	122.847	H10	C8	C11	124.974

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.239
2	H	0.076
3	H	0.078
4	H	0.078
5	C	-0.064
6	H	0.073
7	H	0.073
8	C	-0.075
9	Cl	-0.133
10	H	0.117
11	C	-0.091
12	H	0.107

	x	y	z	Total
	1.009	-1.921	0.000	2.170
CHELPG
AIM
ESP

	x	y	z
x	8.837	-1.485	0.000
y	-1.485	12.080	0.000
z	0.000	0.000	6.245

<r²>	221.114
(<r²>)^1/2	14.870

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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