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	hartrees
Energy at 0K	-569.849022
Energy at 298.15K	-569.853620
HF Energy	-569.661655
Nuclear repulsion energy	138.332443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3556	3161	0.63
2	A'	3524	3132	0.34
3	A'	3512	3122	13.19
4	A'	3368	2994	1.35
5	A'	1809	1608	18.17
6	A'	1717	1526	3.03
7	A'	1609	1430	4.14
8	A'	1407	1251	1.20
9	A'	1373	1221	30.58
10	A'	1216	1081	0.21
11	A'	1063	945	10.70
12	A'	900	800	17.39
13	A'	441	392	2.61
14	A'	258	229	1.21
15	A"	3535	3143	0.57
16	A"	1714	1523	2.24
17	A"	1181	1050	0.17
18	A"	1065	947	19.64
19	A"	785	698	0.14
20	A"	239	213	0.17
21	A"	172	153	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.467	0.000
C2	0.954	-0.489	0.000
C3	2.456	-0.161	0.000
Cl4	-1.755	0.080	0.000
H5	0.213	1.549	0.000
H6	0.664	-1.552	0.000
H7	2.621	0.929	0.000
H8	2.944	-0.592	0.893
H9	2.944	-0.592	-0.893

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3501	2.5348	1.7977	1.1023	2.1254	2.6616	3.2541	3.2541
C2	1.3501		1.5373	2.7680	2.1678	1.1018	2.1889	2.1844	2.1844
C3	2.5348	1.5373		4.2179	2.8203	2.2676	1.1032	1.1053	1.1053
Cl4	1.7977	2.7680	4.2179		2.4562	2.9183	4.4583	4.8309	4.8309
H5	1.1023	2.1678	2.8203	2.4562		3.1332	2.4866	3.5834	3.5834
H6	2.1254	1.1018	2.2676	2.9183	3.1332		3.1599	2.6302	2.6302
H7	2.6616	2.1889	1.1032	4.4583	2.4866	3.1599		1.7933	1.7933
H8	3.2541	2.1844	1.1053	4.8309	3.5834	2.6302	1.7933		1.7858
H9	3.2541	2.1844	1.1053	4.8309	3.5834	2.6302	1.7933	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.641	C1	C2	H6	119.844
C2	C1	Cl4	122.483	C2	C1	H5	123.928
C2	C3	H7	110.922	C2	C3	H8	110.441
C2	C3	H9	110.441	C3	C2	H6	117.515
Cl4	C1	H5	113.589	H7	C3	H8	108.586
H7	C3	H9	108.586	H8	C3	H9	107.775

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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