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	hartrees
Energy at 0K	-576.824831
Energy at 298.15K	-576.829775
HF Energy	-576.053317
Nuclear repulsion energy	146.922734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3109	6.85
2	A'	3211	3049	4.78
3	A'	3190	3029	2.62
4	A'	3092	2936	14.90
5	A'	1708	1622	19.65
6	A'	1508	1432	4.27
7	A'	1427	1355	5.10
8	A'	1369	1300	30.76
9	A'	1269	1205	0.60
10	A'	1111	1054	0.82
11	A'	962	913	20.17
12	A'	790	750	37.55
13	A'	572	543	0.48
14	A'	229	218	1.03
15	A"	3150	2991	9.51
16	A"	1514	1437	6.70
17	A"	1076	1021	1.82
18	A"	971	922	0.24
19	A"	734	697	45.72
20	A"	412	391	2.22
21	A"	124	118	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.894	0.000
C2	-1.242	0.407	0.000
C3	-1.705	-1.009	0.000
Cl4	1.473	-0.044	0.000
H5	0.178	1.957	0.000
H6	-2.019	1.156	0.000
H7	-0.878	-1.702	0.000
H8	-2.322	-1.208	0.875
H9	-2.322	-1.208	-0.875

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3342	2.5550	1.7467	1.0770	2.0359	2.7409	3.2524	3.2524
C2	1.3342		1.4894	2.7523	2.1017	1.0796	2.1400	2.1309	2.1309
C3	2.5550	1.4894		3.3211	3.5124	2.1879	1.0787	1.0894	1.0894
Cl4	1.7467	2.7523	3.3211		2.3835	3.6928	2.8771	4.0650	4.0650
H5	1.0770	2.1017	3.5124	2.3835		2.3379	3.8079	4.1268	4.1268
H6	2.0359	1.0796	2.1879	3.6928	2.3379		3.0776	2.5395	2.5395
H7	2.7409	2.1400	1.0787	2.8771	3.8079	3.0776		1.7591	1.7591
H8	3.2524	2.1309	1.0894	4.0650	4.1268	2.5395	1.7591		1.7502
H9	3.2524	2.1309	1.0894	4.0650	4.1268	2.5395	1.7591	1.7502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.534	C1	C2	H6	114.598
C2	C1	Cl4	126.068	C2	C1	H5	120.931
C2	C3	H7	111.885	C2	C3	H8	110.488
C2	C3	H9	110.488	C3	C2	H6	115.868
Cl4	C1	H5	113.001	H7	C3	H8	108.459
H7	C3	H9	108.459	H8	C3	H9	106.899

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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