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	hartrees
Energy at 0K	-576.215072
Energy at 298.15K	-576.219812
HF Energy	-575.903004
Nuclear repulsion energy	141.243914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3138	14.74
2	A'	3158	3049	23.49
3	A'	3144	3035	2.83
4	A'	3025	2920	26.46
5	A'	1652	1595	19.67
6	A'	1533	1480	6.53
7	A'	1468	1417	7.62
8	A'	1366	1319	39.35
9	A'	1271	1226	0.07
10	A'	1110	1071	0.11
11	A'	941	909	17.50
12	A'	705	681	30.01
13	A'	531	513	2.77
14	A'	216	209	1.39
15	A"	3110	3003	28.62
16	A"	1531	1478	11.71
17	A"	1099	1061	1.17
18	A"	886	855	0.00
19	A"	687	663	74.13
20	A"	378	365	2.35
21	A"	112	108	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.962	0.000
C2	-1.275	0.485	0.000
C3	-1.725	-0.973	0.000
Cl4	1.491	-0.123	0.000
H5	0.268	2.018	0.000
H6	-2.062	1.252	0.000
H7	-0.863	-1.658	0.000
H8	-2.342	-1.184	0.892
H9	-2.342	-1.184	-0.892

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3609	2.5926	1.8434	1.0901	2.0825	2.7583	3.2996	3.2996
C2	1.3609		1.5267	2.8317	2.1752	1.0989	2.1828	2.1734	2.1734
C3	2.5926	1.5267		3.3268	3.5951	2.2506	1.1014	1.1050	1.1050
Cl4	1.8434	2.8317	3.3268		2.4651	3.8096	2.8103	4.0761	4.0761
H5	1.0901	2.1752	3.5951	2.4651		2.4534	3.8465	4.2271	4.2271
H6	2.0825	1.0989	2.2506	3.8096	2.4534		3.1476	2.6097	2.6097
H7	2.7583	2.1828	1.1014	2.8103	3.8465	3.1476		1.7913	1.7913
H8	3.2996	2.1734	1.1050	4.0761	4.2271	2.6097	1.7913		1.7846
H9	3.2996	2.1734	1.1050	4.0761	4.2271	2.6097	1.7913	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.651	C1	C2	H6	115.282
C2	C1	Cl4	123.484	C2	C1	H5	124.745
C2	C3	H7	111.282	C2	C3	H8	110.318
C2	C3	H9	110.318	C3	C2	H6	117.067
Cl4	C1	H5	111.771	H7	C3	H8	108.559
H7	C3	H9	108.559	H8	C3	H9	107.708

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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