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	hartrees
Energy at 0K	-616.461131
Energy at 298.15K	-616.468179
Nuclear repulsion energy	202.381513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3119	8.82
2	A'	3087	3059	7.53
3	A'	3050	3022	27.71
4	A'	2972	2945	20.82
5	A'	2942	2916	25.11
6	A'	1644	1629	16.93
7	A'	1460	1446	6.22
8	A'	1421	1408	4.25
9	A'	1366	1353	9.21
10	A'	1326	1314	16.80
11	A'	1278	1266	1.05
12	A'	1214	1203	6.10
13	A'	1080	1070	2.30
14	A'	1015	1006	7.68
15	A'	876	868	9.09
16	A'	808	801	70.60
17	A'	508	504	3.10
18	A'	319	316	0.79
19	A'	176	174	0.40
20	A"	3040	3012	29.22
21	A"	2962	2935	12.83
22	A"	1452	1439	8.86
23	A"	1249	1237	0.12
24	A"	1063	1054	1.54
25	A"	931	923	47.43
26	A"	799	792	9.45
27	A"	702	696	0.13
28	A"	288	286	1.01
29	A"	192	190	0.73
30	A"	147	146	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.919	-1.709	0.000
H2	2.458	-2.667	0.000
H3	2.239	-1.146	0.890
H4	2.239	-1.146	-0.890
C5	0.407	-1.943	0.000
H6	0.126	-2.558	-0.876
H7	0.126	-2.558	0.876
C8	0.000	0.543	0.000
Cl9	-1.053	1.944	0.000
H10	1.053	0.822	0.000
C11	-0.458	-0.711	0.000
H12	-1.541	-0.874	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0997	1.1013	1.1013	1.5296	2.1684	2.1684	2.9580	4.7089	2.6749	2.5777	3.5592
H2	1.0997		1.7764	1.7764	2.1749	2.4936	2.4936	4.0428	5.7958	3.7616	3.5114	4.3829
H3	1.1013	1.7764		1.7809	2.1878	3.0953	2.5419	2.9424	4.6021	2.4644	2.8738	3.8936
H4	1.1013	1.7764	1.7809		2.1878	2.5419	3.0953	2.9424	4.6021	2.4644	2.8738	3.8936
C5	1.5296	2.1749	2.1878	2.1878		1.1063	1.1063	2.5192	4.1527	2.8400	1.5056	2.2226
H6	2.1684	2.4936	3.0953	2.5419	1.1063		1.7519	3.2243	4.7355	3.6126	2.1255	2.5263
H7	2.1684	2.4936	2.5419	3.0953	1.1063	1.7519		3.2243	4.7355	3.6126	2.1255	2.5263
C8	2.9580	4.0428	2.9424	2.9424	2.5192	3.2243	3.2243		1.7530	1.0892	1.3353	2.0936
Cl9	4.7089	5.7958	4.6021	4.6021	4.1527	4.7355	4.7355	1.7530		2.3860	2.7214	2.8602
H10	2.6749	3.7616	2.4644	2.4644	2.8400	3.6126	3.6126	1.0892	2.3860		2.1531	3.0995
C11	2.5777	3.5114	2.8738	2.8738	1.5056	2.1255	2.1255	1.3353	2.7214	2.1531		1.0951
H12	3.5592	4.3829	3.8936	3.8936	2.2226	2.5263	2.5263	2.0936	2.8602	3.0995	1.0951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.659	C1	C5	H7	109.659
C1	C5	C11	116.262	H2	C1	H3	107.620
H2	C1	H4	107.620	H2	C1	C5	110.549
H3	C1	H4	107.909	H3	C1	C5	111.484
H4	C1	C5	111.484	C5	C11	C8	124.833
C5	C11	H12	116.551	H6	C5	H7	104.706
H6	C5	C11	107.958	H7	C5	C11	107.958
C8	C11	H12	118.616	Cl9	C8	H10	112.051
Cl9	C8	C11	123.000	H10	C8	C11	124.950

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

using model chemistry: PBEPBE/6-311G**

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	-0.377
2	H	0.129
3	H	0.132
4	H	0.132
5	C	-0.232
6	H	0.141
7	H	0.141
8	C	-0.230
9	Cl	-0.059
10	H	0.168
11	C	-0.074
12	H	0.128

	x	y	z
x	8.404	-1.623	0.000
y	-1.623	11.969	0.000
z	0.000	0.000	5.496

<r²>	223.686
(<r²>)^1/2	14.956

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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