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	hartrees
Energy at 0K	-576.257162
Energy at 298.15K	-576.261973
HF Energy	-575.903816
Nuclear repulsion energy	141.896580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3113	7.14
2	A'	3134	3007	18.06
3	A'	3119	2993	2.87
4	A'	3022	2899	20.96
5	A'	1718	1649	15.65
6	A'	1548	1485	4.01
7	A'	1483	1422	5.16
8	A'	1392	1335	41.67
9	A'	1288	1236	0.75
10	A'	1125	1079	0.07
11	A'	955	916	12.41
12	A'	717	688	30.71
13	A'	543	521	3.25
14	A'	226	217	1.34
15	A"	3079	2955	23.70
16	A"	1544	1482	9.00
17	A"	1115	1070	0.57
18	A"	965	926	1.46
19	A"	728	699	55.44
20	A"	398	382	2.01
21	A"	93	89	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.950	0.000
C2	-1.263	0.491	0.000
C3	-1.730	-0.951	0.000
Cl4	1.488	-0.131	0.000
H5	0.281	2.000	0.000
H6	-2.048	1.257	0.000
H7	-0.879	-1.648	0.000
H8	-2.348	-1.158	0.890
H9	-2.348	-1.158	-0.890

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3433	2.5703	1.8394	1.0868	2.0705	2.7421	3.2784	3.2784
C2	1.3433		1.5163	2.8203	2.1582	1.0966	2.1730	2.1657	2.1657
C3	2.5703	1.5163		3.3207	3.5709	2.2309	1.0994	1.1034	1.1034
Cl4	1.8394	2.8203	3.3207		2.4492	3.7985	2.8110	4.0695	4.0695
H5	1.0868	2.1582	3.5709	2.4492		2.4442	3.8273	4.2040	4.2040
H6	2.0705	1.0966	2.2309	3.7985	2.4442		3.1308	2.5912	2.5912
H7	2.7421	2.1730	1.0994	2.8110	3.8273	3.1308		1.7861	1.7861
H8	3.2784	2.1657	1.1034	4.0695	4.2040	2.5912	1.7861		1.7806
H9	3.2784	2.1657	1.1034	4.0695	4.2040	2.5912	1.7861	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.905	C1	C2	H6	115.761
C2	C1	Cl4	124.039	C2	C1	H5	124.944
C2	C3	H7	111.355	C2	C3	H8	110.536
C2	C3	H9	110.536	C3	C2	H6	116.334
Cl4	C1	H5	111.017	H7	C3	H8	108.352
H7	C3	H9	108.352	H8	C3	H9	107.591

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

using model chemistry: CCD/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 C3H5Cl (1-chloro-1-propene(Z))

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))