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	hartrees
Energy at 0K	-615.739130
Energy at 298.15K	-615.746404
HF Energy	-615.017469
Nuclear repulsion energy	204.178928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3105	8.00
2	A'	3254	3041	6.70
3	A'	3234	3022	25.11
4	A'	3135	2929	16.21
5	A'	3115	2911	23.34
6	A'	1726	1613	18.60
7	A'	1572	1469	4.29
8	A'	1538	1437	1.33
9	A'	1470	1373	7.01
10	A'	1420	1327	16.35
11	A'	1361	1272	1.45
12	A'	1312	1226	5.02
13	A'	1144	1069	1.20
14	A'	1074	1004	6.55
15	A'	927	866	6.99
16	A'	879	821	49.13
17	A'	533	498	1.63
18	A'	336	314	0.72
19	A'	193	181	0.39
20	A"	3231	3019	25.20
21	A"	3158	2951	13.92
22	A"	1562	1459	5.95
23	A"	1332	1244	0.11
24	A"	1141	1066	1.21
25	A"	998	932	38.41
26	A"	844	788	4.68
27	A"	738	689	0.22
28	A"	320	299	0.54
29	A"	205	192	0.32
30	A"	140	130	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.900	-1.678	0.000
H2	2.447	-2.618	0.000
H3	2.201	-1.116	0.881
H4	2.201	-1.116	-0.881
C5	0.401	-1.937	0.000
H6	0.135	-2.543	-0.870
H7	0.135	-2.543	0.870
C8	0.000	0.539	0.000
Cl9	-1.038	1.926	0.000
H10	1.047	0.795	0.000
C11	-0.464	-0.711	0.000
H12	-1.536	-0.866	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0873	1.0882	1.0882	1.5213	2.1492	2.1492	2.9201	4.6496	2.6161	2.5537	3.5305
H2	1.0873		1.7591	1.7591	2.1567	2.4716	2.4716	3.9945	5.7262	3.6888	3.4797	4.3514
H3	1.0882	1.7591		1.7628	2.1662	3.0614	2.5112	2.8911	4.5294	2.3996	2.8355	3.8474
H4	1.0882	1.7591	1.7628		2.1662	2.5112	3.0614	2.8911	4.5294	2.3996	2.8355	3.8474
C5	1.5213	2.1567	2.1662	2.1662		1.0927	1.0927	2.5088	4.1222	2.8076	1.5002	2.2133
H6	2.1492	2.4716	3.0614	2.5112	1.0927		1.7394	3.2055	4.7012	3.5679	2.1143	2.5221
H7	2.1492	2.4716	2.5112	3.0614	1.0927	1.7394		3.2055	4.7012	3.5679	2.1143	2.5221
C8	2.9201	3.9945	2.8911	2.8911	2.5088	3.2055	3.2055		1.7319	1.0775	1.3338	2.0819
Cl9	4.6496	5.7262	4.5294	4.5294	4.1222	4.7012	4.7012	1.7319		2.3718	2.6987	2.8357
H10	2.6161	3.6888	2.3996	2.3996	2.8076	3.5679	3.5679	1.0775	2.3718		2.1332	3.0707
C11	2.5537	3.4797	2.8355	2.8355	1.5002	2.1143	2.1143	1.3338	2.6987	2.1332		1.0833
H12	3.5305	4.3514	3.8474	3.8474	2.2133	2.5221	2.5221	2.0819	2.8357	3.0707	1.0833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.519	C1	C5	H7	109.519
C1	C5	C11	115.383	H2	C1	H3	107.915
H2	C1	H4	107.915	H2	C1	C5	110.422
H3	C1	H4	108.185	H3	C1	C5	111.138
H4	C1	C5	111.138	C5	C11	C8	124.464
C5	C11	H12	116.977	H6	C5	H7	105.490
H6	C5	C11	108.231	H7	C5	C11	108.231
C8	C11	H12	118.559	Cl9	C8	H10	113.106
Cl9	C8	C11	122.826	H10	C8	C11	124.068

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CHClCHCH2CH3 ((Z)-1-Chloro-1-butene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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