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	hartrees
Energy at 0K	-616.744435
Energy at 298.15K	-616.751499
HF Energy	-616.744435
Nuclear repulsion energy	202.063477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3133	8.61
2	A'	3115	3062	11.53
3	A'	3071	3018	36.80
4	A'	2990	2939	28.53
5	A'	2959	2908	36.80
6	A'	1650	1621	17.25
7	A'	1488	1463	5.70
8	A'	1447	1423	2.65
9	A'	1393	1369	7.18
10	A'	1345	1322	23.26
11	A'	1301	1279	1.08
12	A'	1242	1220	6.30
13	A'	1082	1063	0.73
14	A'	1027	1009	7.76
15	A'	872	857	7.52
16	A'	801	787	73.63
17	A'	509	500	4.70
18	A'	323	318	1.14
19	A'	185	182	0.42
20	A"	3065	3012	37.21
21	A"	2984	2933	15.58
22	A"	1481	1456	8.24
23	A"	1265	1243	0.30
24	A"	1079	1060	1.96
25	A"	935	919	45.83
26	A"	804	790	8.14
27	A"	706	694	0.02
28	A"	299	294	0.84
29	A"	194	191	0.99
30	A"	138	135	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.925	-1.709	0.000
H2	2.462	-2.666	0.000
H3	2.241	-1.147	0.889
H4	2.241	-1.147	-0.889
C5	0.410	-1.948	0.000
H6	0.133	-2.560	-0.876
H7	0.133	-2.560	0.876
C8	0.000	0.544	0.000
Cl9	-1.057	1.947	0.000
H10	1.050	0.823	0.000
C11	-0.459	-0.714	0.000
H12	-1.539	-0.879	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0978	1.0990	1.0990	1.5335	2.1685	2.1685	2.9636	4.7185	2.6789	2.5833	3.5620
H2	1.0978		1.7748	1.7748	2.1745	2.4912	2.4912	4.0461	5.8030	3.7642	3.5138	4.3826
H3	1.0990	1.7748		1.7789	2.1878	3.0917	2.5382	2.9448	4.6091	2.4674	2.8756	3.8925
H4	1.0990	1.7748	1.7789		2.1878	2.5382	3.0917	2.9448	4.6091	2.4674	2.8756	3.8925
C5	1.5335	2.1745	2.1878	2.1878		1.1037	1.1037	2.5258	4.1627	2.8440	1.5095	2.2232
H6	2.1685	2.4912	3.0917	2.5382	1.1037		1.7516	3.2279	4.7432	3.6127	2.1271	2.5274
H7	2.1685	2.4912	2.5382	3.0917	1.1037	1.7516		3.2279	4.7432	3.6127	2.1271	2.5274
C8	2.9636	4.0461	2.9448	2.9448	2.5258	3.2279	3.2279		1.7570	1.0866	1.3392	2.0958
Cl9	4.7185	5.8030	4.6091	4.6091	4.1627	4.7432	4.7432	1.7570		2.3888	2.7277	2.8666
H10	2.6789	3.7642	2.4674	2.4674	2.8440	3.6127	3.6127	1.0866	2.3888		2.1540	3.0982
C11	2.5833	3.5138	2.8756	2.8756	1.5095	2.1271	2.1271	1.3392	2.7277	2.1540		1.0924
H12	3.5620	4.3826	3.8925	3.8925	2.2232	2.5274	2.5274	2.0958	2.8666	3.0982	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.444	C1	C5	H7	109.444
C1	C5	C11	116.534	H2	C1	H3	107.658
H2	C1	H4	107.658	H2	C1	C5	110.501
H3	C1	H4	108.068	H3	C1	C5	111.397
H4	C1	C5	111.397	C5	C11	C8	125.116
C5	C11	H12	116.433	H6	C5	H7	104.937
H6	C5	C11	107.924	H7	C5	C11	107.924
C8	C11	H12	118.451	Cl9	C8	H10	112.260
Cl9	C8	C11	123.073	H10	C8	C11	124.666

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

using model chemistry: B97D3/6-31+G**

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	-0.613
2	H	0.159
3	H	0.162
4	H	0.162
5	C	-0.332
6	H	0.163
7	H	0.163
8	C	-0.350
9	Cl	0.100
10	H	0.179
11	C	0.053
12	H	0.154

	x	y	z	Total
	1.046	-2.006	0.000	2.262
CHELPG
AIM
ESP

	x	y	z
x	8.754	-1.360	0.000
y	-1.360	12.269	0.000
z	0.000	0.000	6.586

<r²>	224.385
(<r²>)^1/2	14.979

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

using model chemistry: B97D3/6-31+G**

States and conformations

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