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	hartrees
Energy at 0K	-616.848568
Energy at 298.15K	-616.855693
HF Energy	-616.848568
Nuclear repulsion energy	203.178626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3116	8.31
2	A'	3167	3056	8.18
3	A'	3113	3004	32.77
4	A'	3036	2930	21.26
5	A'	3010	2904	29.98
6	A'	1688	1629	12.99
7	A'	1520	1467	3.24
8	A'	1482	1430	1.03
9	A'	1417	1368	3.66
10	A'	1370	1322	24.85
11	A'	1322	1276	1.64
12	A'	1248	1204	7.89
13	A'	1099	1061	1.24
14	A'	1037	1001	8.21
15	A'	888	857	8.40
16	A'	827	798	60.81
17	A'	515	497	3.28
18	A'	319	308	0.89
19	A'	175	169	0.49
20	A"	3107	2998	33.31
21	A"	3032	2926	15.34
22	A"	1511	1459	5.29
23	A"	1290	1245	0.20
24	A"	1103	1064	1.90
25	A"	983	949	30.23
26	A"	824	795	4.92
27	A"	725	700	0.41
28	A"	291	281	0.67
29	A"	198	191	0.28
30	A"	150	145	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.921	-1.688	0.000
H2	2.464	-2.638	0.000
H3	2.232	-1.125	0.886
H4	2.232	-1.125	-0.886
C5	0.412	-1.938	0.000
H6	0.138	-2.548	-0.873
H7	0.138	-2.548	0.873
C8	0.000	0.540	0.000
Cl9	-1.058	1.930	0.000
H10	1.044	0.824	0.000
C11	-0.456	-0.708	0.000
H12	-1.531	-0.875	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0938	1.0952	1.0952	1.5298	2.1634	2.1634	2.9420	4.6862	2.6606	2.5713	3.5464
H2	1.0938		1.7689	1.7689	2.1676	2.4853	2.4853	4.0210	5.7672	3.7415	3.4996	4.3660
H3	1.0952	1.7689		1.7726	2.1817	3.0830	2.5320	2.9222	4.5757	2.4482	2.8610	3.8739
H4	1.0952	1.7689	1.7726		2.1817	2.5320	3.0830	2.9222	4.5757	2.4482	2.8610	3.8739
C5	1.5298	2.1676	2.1817	2.1817		1.0994	1.0994	2.5121	4.1375	2.8332	1.5053	2.2145
H6	2.1634	2.4853	3.0830	2.5320	1.0994		1.7454	3.2120	4.7161	3.5988	2.1212	2.5191
H7	2.1634	2.4853	2.5320	3.0830	1.0994	1.7454		3.2120	4.7161	3.5988	2.1212	2.5191
C8	2.9420	4.0210	2.9222	2.9222	2.5121	3.2120	3.2120		1.7463	1.0818	1.3291	2.0846
Cl9	4.6862	5.7672	4.5757	4.5757	4.1375	4.7161	4.7161	1.7463		2.3748	2.7056	2.8443
H10	2.6606	3.7415	2.4482	2.4482	2.8332	3.5988	3.5988	1.0818	2.3748		2.1441	3.0846
C11	2.5713	3.4996	2.8610	2.8610	1.5053	2.1212	2.1212	1.3291	2.7056	2.1441		1.0875
H12	3.5464	4.3660	3.8739	3.8739	2.2145	2.5191	2.5191	2.0846	2.8443	3.0846	1.0875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.657	C1	C5	H7	109.657
C1	C5	C11	115.812	H2	C1	H3	107.817
H2	C1	H4	107.817	H2	C1	C5	110.311
H3	C1	H4	108.039	H3	C1	C5	111.355
H4	C1	C5	111.355	C5	C11	C8	124.709
C5	C11	H12	116.401	H6	C5	H7	105.079
H6	C5	C11	108.041	H7	C5	C11	108.041
C8	C11	H12	118.890	Cl9	C8	H10	112.071
Cl9	C8	C11	122.652	H10	C8	C11	125.277

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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