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	hartrees
Energy at 0K	-573.650259
Energy at 298.15K	-573.655155
HF Energy	-573.245474
Nuclear repulsion energy	144.786351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3104	5.93
2	A'	3190	3035	7.20
3	A'	3174	3020	2.59
4	A'	3085	2935	11.38
5	A'	1681	1599	15.60
6	A'	1587	1509	2.25
7	A'	1494	1421	6.75
8	A'	1424	1355	30.31
9	A'	1319	1255	0.68
10	A'	1141	1085	0.74
11	A'	937	891	19.81
12	A'	750	714	37.26
13	A'	572	544	2.91
14	A'	240	228	1.09
15	A"	3143	2990	13.96
16	A"	1593	1516	8.67
17	A"	1135	1079	0.18
18	A"	979	931	0.74
19	A"	739	703	58.52
20	A"	405	385	2.87
21	A"	101	96	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.933	0.000
C2	-1.248	0.449	0.000
C3	-1.657	-1.009	0.000
Cl4	1.444	-0.076	0.000
H5	0.233	1.990	0.000
H6	-2.051	1.184	0.000
H7	-0.775	-1.655	0.000
H8	-2.260	-1.236	0.887
H9	-2.260	-1.236	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3382	2.5532	1.7613	1.0819	2.0667	2.7022	3.2559	3.2559
C2	1.3382		1.5150	2.7422	2.1366	1.0887	2.1572	2.1569	2.1569
C3	2.5532	1.5150		3.2381	3.5449	2.2284	1.0930	1.0962	1.0962
Cl4	1.7613	2.7422	3.2381		2.3941	3.7152	2.7238	3.9814	3.9814
H5	1.0819	2.1366	3.5449	2.3941		2.4224	3.7820	4.1723	4.1723
H6	2.0667	1.0887	2.2284	3.7152	2.4224		3.1129	2.5858	2.5858
H7	2.7022	2.1572	1.0930	2.7238	3.7820	3.1129		1.7797	1.7797
H8	3.2559	2.1569	1.0962	3.9814	4.1723	2.5858	1.7797		1.7735
H9	3.2559	2.1569	1.0962	3.9814	4.1723	2.5858	1.7797	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.863	C1	C2	H6	116.382
C2	C1	Cl4	123.858	C2	C1	H5	123.631
C2	C3	H7	110.566	C2	C3	H8	110.353
C2	C3	H9	110.353	C3	C2	H6	116.755
Cl4	C1	H5	112.512	H7	C3	H8	108.760
H7	C3	H9	108.760	H8	C3	H9	107.983

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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