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	hartrees
Energy at 0K	-573.667110
Energy at 298.15K	-573.672008
HF Energy	-573.245508
Nuclear repulsion energy	144.823796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3094	5.90
2	A'	3191	3025	7.12
3	A'	3175	3010	2.59
4	A'	3085	2925	11.33
5	A'	1682	1594	15.57
6	A'	1587	1504	2.30
7	A'	1494	1417	6.82
8	A'	1424	1350	30.28
9	A'	1319	1250	0.65
10	A'	1141	1082	0.75
11	A'	937	888	19.74
12	A'	750	711	37.23
13	A'	572	542	2.90
14	A'	240	228	1.08
15	A"	3143	2980	13.88
16	A"	1593	1510	8.70
17	A"	1135	1076	0.18
18	A"	980	929	0.74
19	A"	740	702	58.58
20	A"	405	384	2.86
21	A"	101	96	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.933	0.000
C2	-1.247	0.450	0.000
C3	-1.656	-1.009	0.000
Cl4	1.443	-0.076	0.000
H5	0.233	1.990	0.000
H6	-2.051	1.184	0.000
H7	-0.774	-1.654	0.000
H8	-2.259	-1.236	0.887
H9	-2.259	-1.236	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3380	2.5524	1.7611	1.0818	2.0665	2.7009	3.2551	3.2551
C2	1.3380		1.5147	2.7414	2.1363	1.0886	2.1566	2.1567	2.1567
C3	2.5524	1.5147		3.2363	3.5441	2.2281	1.0929	1.0961	1.0961
Cl4	1.7611	2.7414	3.2363		2.3942	3.7145	2.7213	3.9795	3.9795
H5	1.0818	2.1363	3.5441	2.3942		2.4223	3.7806	4.1716	4.1716
H6	2.0665	1.0886	2.2281	3.7145	2.4223		3.1123	2.5856	2.5856
H7	2.7009	2.1566	1.0929	2.7213	3.7806	3.1123		1.7794	1.7794
H8	3.2551	2.1567	1.0961	3.9795	4.1716	2.5856	1.7794		1.7733
H9	3.2551	2.1567	1.0961	3.9795	4.1716	2.5856	1.7794	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.839	C1	C2	H6	116.398
C2	C1	Cl4	123.829	C2	C1	H5	123.635
C2	C3	H7	110.548	C2	C3	H8	110.363
C2	C3	H9	110.363	C3	C2	H6	116.762
Cl4	C1	H5	112.535	H7	C3	H8	108.759
H7	C3	H9	108.759	H8	C3	H9	107.982

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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