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	hartrees
Energy at 0K	-616.399718
Energy at 298.15K	-616.406766
Nuclear repulsion energy	202.204027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3124	8.34
2	A'	3107	3065	7.80
3	A'	3073	3031	24.38
4	A'	2988	2947	18.78
5	A'	2954	2914	25.73
6	A'	1658	1636	15.49
7	A'	1474	1453	5.22
8	A'	1434	1414	2.41
9	A'	1377	1358	7.81
10	A'	1333	1315	19.70
11	A'	1283	1266	0.90
12	A'	1222	1206	5.07
13	A'	1084	1070	2.66
14	A'	1018	1004	7.40
15	A'	881	869	8.76
16	A'	817	805	65.26
17	A'	510	503	2.48
18	A'	320	316	1.05
19	A'	178	176	0.39
20	A"	3063	3021	25.69
21	A"	2980	2939	14.05
22	A"	1464	1444	6.85
23	A"	1252	1235	0.03
24	A"	1066	1051	1.24
25	A"	936	923	36.84
26	A"	797	786	8.75
27	A"	701	691	0.32
28	A"	292	288	0.90
29	A"	194	192	0.49
30	A"	149	147	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.915	-1.711	0.000
H2	2.457	-2.670	0.000
H3	2.234	-1.146	0.891
H4	2.234	-1.146	-0.891
C5	0.402	-1.947	0.000
H6	0.122	-2.564	-0.877
H7	0.122	-2.564	0.877
C8	0.000	0.544	0.000
Cl9	-1.047	1.948	0.000
H10	1.057	0.814	0.000
C11	-0.464	-0.714	0.000
H12	-1.548	-0.874	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1010	1.1026	1.1026	1.5309	2.1704	2.1704	2.9584	4.7081	2.6665	2.5794	3.5630
H2	1.1010		1.7790	1.7790	2.1779	2.4965	2.4965	4.0450	5.7969	3.7539	3.5152	4.3892
H3	1.1026	1.7790		1.7827	2.1891	3.0981	2.5441	2.9399	4.5977	2.4537	2.8742	3.8957
H4	1.1026	1.7790	1.7827		2.1891	2.5441	3.0981	2.9399	4.5977	2.4537	2.8742	3.8957
C5	1.5309	2.1779	2.1891	2.1891		1.1079	1.1079	2.5232	4.1564	2.8374	1.5073	2.2263
H6	2.1704	2.4965	3.0981	2.5441	1.1079		1.7533	3.2311	4.7428	3.6126	2.1295	2.5323
H7	2.1704	2.4965	2.5441	3.0981	1.1079	1.7533		3.2311	4.7428	3.6126	2.1295	2.5323
C8	2.9584	4.0450	2.9399	2.9399	2.5232	3.2311	3.2311		1.7519	1.0913	1.3401	2.0995
Cl9	4.7081	5.7969	4.5977	4.5977	4.1564	4.7428	4.7428	1.7519		2.3910	2.7250	2.8667
H10	2.6665	3.7539	2.4537	2.4537	2.8374	3.6126	3.6126	1.0913	2.3910		2.1554	3.1046
C11	2.5794	3.5152	2.8742	2.8742	1.5073	2.1295	2.1295	1.3401	2.7250	2.1554		1.0964
H12	3.5630	4.3892	3.8957	3.8957	2.2263	2.5323	2.5323	2.0995	2.8667	3.1046	1.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.631	C1	C5	H7	109.631
C1	C5	C11	116.206	H2	C1	H3	107.666
H2	C1	H4	107.666	H2	C1	C5	110.622
H3	C1	H4	107.882	H3	C1	C5	111.418
H4	C1	C5	111.418	C5	C11	C8	124.685
C5	C11	H12	116.646	H6	C5	H7	104.607
H6	C5	C11	108.061	H7	C5	C11	108.061
C8	C11	H12	118.670	Cl9	C8	H10	112.388
Cl9	C8	C11	123.052	H10	C8	C11	124.560

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	-0.382
2	H	0.126
3	H	0.132
4	H	0.132
5	C	-0.250
6	H	0.135
7	H	0.135
8	C	-0.255
9	Cl	-0.019
10	H	0.152
11	C	-0.024
12	H	0.119

	x	y	z	Total
	1.008	-1.932	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	7.811	-1.457	0.000
y	-1.457	11.288	0.000
z	0.000	0.000	5.068

<r²>	223.334
(<r²>)^1/2	14.944

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)