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	hartrees
Energy at 0K	-576.512088
Energy at 298.15K	-576.516983
HF Energy	-575.972290
Nuclear repulsion energy	145.855803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3099	8.04
2	A'	3228	3041	8.48
3	A'	3216	3030	2.37
4	A'	3108	2928	13.99
5	A'	1729	1629	17.68
6	A'	1550	1461	3.75
7	A'	1476	1390	3.89
8	A'	1402	1321	32.19
9	A'	1300	1224	1.69
10	A'	1135	1069	0.76
11	A'	975	919	20.26
12	A'	797	751	38.24
13	A'	579	546	0.62
14	A'	235	221	1.00
15	A"	3179	2996	13.13
16	A"	1551	1461	8.03
17	A"	1100	1037	0.63
18	A"	954	899	0.81
19	A"	729	687	48.62
20	A"	404	380	2.41
21	A"	106	99	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.892	0.000
C2	-1.249	0.409	0.000
C3	-1.721	-1.008	0.000
Cl4	1.486	-0.045	0.000
H5	0.174	1.965	0.000
H6	-2.033	1.165	0.000
H7	-0.900	-1.717	0.000
H8	-2.344	-1.202	0.881
H9	-2.344	-1.202	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3390	2.5639	1.7568	1.0870	2.0510	2.7596	3.2639	3.2639
C2	1.3390		1.4936	2.7723	2.1088	1.0895	2.1538	2.1375	2.1375
C3	2.5639	1.4936		3.3492	3.5260	2.1956	1.0849	1.0962	1.0962
Cl4	1.7568	2.7723	3.3492		2.3999	3.7212	2.9136	4.0968	4.0968
H5	1.0870	2.1088	3.5260	2.3999		2.3476	3.8351	4.1406	4.1406
H6	2.0510	1.0895	2.1956	3.7212	2.3476		3.0966	2.5447	2.5447
H7	2.7596	2.1538	1.0849	2.9136	3.8351	3.0966		1.7683	1.7683
H8	3.2639	2.1375	1.0962	4.0968	4.1406	2.5447	1.7683		1.7629
H9	3.2639	2.1375	1.0962	4.0968	4.1406	2.5447	1.7683	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.609	C1	C2	H6	114.861
C2	C1	Cl4	126.618	C2	C1	H5	120.393
C2	C3	H7	112.329	C2	C3	H8	110.307
C2	C3	H9	110.307	C3	C2	H6	115.530
Cl4	C1	H5	112.989	H7	C3	H8	108.339
H7	C3	H9	108.339	H8	C3	H9	107.047

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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