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	hartrees
Energy at 0K	-576.667841
Energy at 298.15K	-576.672680
HF Energy	-576.018051
Nuclear repulsion energy	145.750828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3088	9.56
2	A'	3205	3036	9.30
3	A'	3192	3023	2.32
4	A'	3084	2921	15.77
5	A'	1705	1615	19.89
6	A'	1526	1445	6.39
7	A'	1454	1378	5.57
8	A'	1382	1309	32.70
9	A'	1281	1213	1.92
10	A'	1120	1060	1.53
11	A'	964	913	22.23
12	A'	791	749	40.94
13	A'	574	544	0.49
14	A'	233	220	0.62
15	A"	3154	2987	13.81
16	A"	1527	1446	11.25
17	A"	1081	1024	1.04
18	A"	933	883	0.67
19	A"	711	673	62.61
20	A"	395	374	2.18
21	A"	87	82	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.914	0.000
C2	-1.243	0.422	0.000
C3	-1.649	-1.017	0.000
Cl4	1.440	-0.052	0.000
H5	0.209	1.976	0.000
H6	-2.037	1.166	0.000
H7	-0.785	-1.681	0.000
H8	-2.258	-1.243	0.880
H9	-2.258	-1.243	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3366	2.5391	1.7341	1.0825	2.0522	2.7111	3.2440	3.2440
C2	1.3366		1.4950	2.7241	2.1271	1.0884	2.1518	2.1391	2.1391
C3	2.5391	1.4950		3.2355	3.5229	2.2174	1.0891	1.0935	1.0935
Cl4	1.7341	2.7241	3.2355		2.3725	3.6838	2.7572	3.9826	3.9826
H5	1.0825	2.1271	3.5229	2.3725		2.3876	3.7897	4.1500	4.1500
H6	2.0522	1.0884	2.2174	3.6838	2.3876		3.1099	2.5744	2.5744
H7	2.7111	2.1518	1.0891	2.7572	3.7897	3.1099		1.7701	1.7701
H8	3.2440	2.1391	1.0935	3.9826	4.1500	2.5744	1.7701		1.7595
H9	3.2440	2.1391	1.0935	3.9826	4.1500	2.5744	1.7701	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.365	C1	C2	H6	115.236
C2	C1	Cl4	124.517	C2	C1	H5	122.764
C2	C3	H7	111.799	C2	C3	H8	110.496
C2	C3	H9	110.496	C3	C2	H6	117.400
Cl4	C1	H5	112.719	H7	C3	H8	108.386
H7	C3	H9	108.386	H8	C3	H9	107.126

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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