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	hartrees
Energy at 0K	-615.726242
Energy at 298.15K	-615.733498
HF Energy	-615.006015
Nuclear repulsion energy	203.548850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3097	7.68
2	A'	3224	3025	6.90
3	A'	3188	2992	26.92
4	A'	3106	2914	15.81
5	A'	3086	2896	22.81
6	A'	1764	1655	16.24
7	A'	1570	1473	5.52
8	A'	1548	1452	2.02
9	A'	1480	1389	9.20
10	A'	1433	1344	12.32
11	A'	1369	1285	1.55
12	A'	1321	1239	4.75
13	A'	1146	1075	1.14
14	A'	1079	1013	4.61
15	A'	926	869	5.97
16	A'	877	823	49.77
17	A'	536	503	2.03
18	A'	337	316	0.79
19	A'	194	182	0.43
20	A"	3184	2987	27.80
21	A"	3117	2925	14.18
22	A"	1561	1465	7.37
23	A"	1336	1253	0.10
24	A"	1150	1080	1.59
25	A"	995	934	40.83
26	A"	854	801	6.95
27	A"	746	700	0.26
28	A"	312	293	0.52
29	A"	205	192	0.28
30	A"	138	129	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	1.917	-1.676	0.000
H2	2.466	-2.622	0.000
H3	2.220	-1.111	0.887
H4	2.220	-1.111	-0.887
C5	0.414	-1.940	0.000
H6	0.146	-2.547	-0.875
H7	0.146	-2.547	0.875
C8	0.000	0.540	0.000
Cl9	-1.057	1.925	0.000
H10	1.047	0.817	0.000
C11	-0.455	-0.710	0.000
H12	-1.530	-0.882	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0936	1.0944	1.0944	1.5259	2.1581	2.1581	2.9301	4.6697	2.6407	2.5608	3.5373
H2	1.0936		1.7694	1.7694	2.1626	2.4802	2.4802	4.0098	5.7514	3.7204	3.4908	4.3585
H3	1.0944	1.7694		1.7731	2.1761	3.0765	2.5224	2.9049	4.5535	2.4245	2.8462	3.8603
H4	1.0944	1.7694	1.7731		2.1761	2.5224	3.0765	2.9049	4.5535	2.4245	2.8462	3.8603
C5	1.5259	2.1626	2.1761	2.1761		1.0979	1.0979	2.5139	4.1344	2.8285	1.5053	2.2130
H6	2.1581	2.4802	3.0765	2.5224	1.0979		1.7496	3.2116	4.7120	3.5905	2.1212	2.5193
H7	2.1581	2.4802	2.5224	3.0765	1.0979	1.7496		3.2116	4.7120	3.5905	2.1212	2.5193
C8	2.9301	4.0098	2.9049	2.9049	2.5139	3.2116	3.2116		1.7416	1.0829	1.3304	2.0891
Cl9	4.6697	5.7514	4.5535	4.5535	4.1344	4.7120	4.7120	1.7416		2.3773	2.7024	2.8461
H10	2.6407	3.7204	2.4245	2.4245	2.8285	3.5905	3.5905	1.0829	2.3773		2.1419	3.0869
C11	2.5608	3.4908	2.8462	2.8462	1.5053	2.1212	2.1212	1.3304	2.7024	2.1419		1.0891
H12	3.5373	4.3585	3.8603	3.8603	2.2130	2.5193	2.5193	2.0891	2.8461	3.0869	1.0891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.599	C1	C5	H7	109.599
C1	C5	C11	115.300	H2	C1	H3	107.927
H2	C1	H4	107.927	H2	C1	C5	110.201
H3	C1	H4	108.199	H3	C1	C5	111.230
H4	C1	C5	111.230	C5	C11	C8	124.766
C5	C11	H12	116.156	H6	C5	H7	105.651
H6	C5	C11	108.122	H7	C5	C11	108.122
C8	C11	H12	119.077	Cl9	C8	H10	112.533
Cl9	C8	C11	122.647	H10	C8	C11	124.819

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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