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	hartrees
Energy at 0K	-576.608966
Energy at 298.15K	-576.613761
HF Energy	-576.035653
Nuclear repulsion energy	141.583780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3088	8.97
2	A'	3223	3055	5.68
3	A'	3178	3012	14.97
4	A'	3081	2921	23.36
5	A'	1700	1612	21.21
6	A'	1517	1438	9.71
7	A'	1441	1366	2.02
8	A'	1340	1270	3.73
9	A'	1298	1230	16.37
10	A'	1136	1076	0.59
11	A'	984	933	30.26
12	A'	829	786	31.49
13	A'	431	408	3.77
14	A'	263	249	0.70
15	A"	3158	2993	13.75
16	A"	1489	1411	7.53
17	A"	1073	1017	1.37
18	A"	956	907	51.70
19	A"	720	683	0.57
20	A"	233	221	0.36
21	A"	196	186	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.454	0.000
C2	0.925	-0.501	0.000
C3	2.392	-0.207	0.000
Cl4	-1.710	0.115	0.000
H5	0.228	1.510	0.000
H6	0.611	-1.539	0.000
H7	2.579	0.867	0.000
H8	2.873	-0.637	0.880
H9	2.873	-0.637	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3296	2.4812	1.7428	1.0808	2.0848	2.6122	3.1966	3.1966
C2	1.3296		1.4961	2.7055	2.1289	1.0841	2.1468	2.1419	2.1419
C3	2.4812	1.4961		4.1138	2.7621	2.2235	1.0898	1.0912	1.0912
Cl4	1.7428	2.7055	4.1138		2.3878	2.8501	4.3543	4.7264	4.7264
H5	1.0808	2.1289	2.7621	2.3878		3.0735	2.4377	3.5185	3.5185
H6	2.0848	1.0841	2.2235	2.8501	3.0735		3.1081	2.5889	2.5889
H7	2.6122	2.1468	1.0898	4.3543	2.4377	3.1081		1.7667	1.7667
H8	3.1966	2.1419	1.0912	4.7264	3.5185	2.5889	1.7667		1.7597
H9	3.1966	2.1419	1.0912	4.7264	3.5185	2.5889	1.7667	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.722	C1	C2	H6	119.126
C2	C1	Cl4	122.857	C2	C1	H5	123.738
C2	C3	H7	111.273	C2	C3	H8	110.787
C2	C3	H9	110.787	C3	C2	H6	118.152
Cl4	C1	H5	113.405	H7	C3	H8	108.196
H7	C3	H9	108.196	H8	C3	H9	107.465

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

using model chemistry: MP2/TZVP

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(E))

using model chemistry: MP2/TZVP

States and conformations

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