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	hartrees
Energy at 0K	-131.443976
Energy at 298.15K	-131.448642
HF Energy	-131.148819
Nuclear repulsion energy	93.853390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3118	13.67
2	A'	3186	3069	13.06
3	A'	3126	3011	26.38
4	A'	3020	2908	32.29
5	A'	1650	1589	21.51
6	A'	1536	1480	11.64
7	A'	1467	1413	4.41
8	A'	1334	1284	2.83
9	A'	1285	1237	16.80
10	A'	1123	1081	2.37
11	A'	970	934	19.10
12	A'	755	727	27.92
13	A'	399	384	4.81
14	A'	245	236	0.62
15	A"	3114	2999	28.59
16	A"	1520	1464	10.27
17	A"	1097	1056	0.28
18	A"	970	934	77.50
19	A"	719	692	1.82
20	A"	223	215	0.42
21	A"	189	182	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.472	0.000
C2	0.986	-0.465	0.000
C3	2.475	-0.099	0.000
Cl4	-1.778	0.033	0.000
H5	0.164	1.550	0.000
H6	0.723	-1.529	0.000
H7	2.615	0.997	0.000
H8	2.976	-0.513	0.893
H9	2.976	-0.513	-0.893

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3602	2.5395	1.8311	1.0911	2.1271	2.6672	3.2595	3.2595
C2	1.3602		1.5325	2.8086	2.1764	1.0962	2.1882	2.1815	2.1815
C3	2.5395	1.5325		4.2544	2.8385	2.2614	1.1043	1.1048	1.1048
Cl4	1.8311	2.8086	4.2544		2.4646	2.9482	4.4973	4.8678	4.8678
H5	1.0911	2.1764	2.8385	2.4646		3.1294	2.5125	3.6002	3.6002
H6	2.1271	1.0962	2.2614	2.9482	3.1294		3.1557	2.6281	2.6281
H7	2.6672	2.1882	1.1043	4.4973	2.5125	3.1557		1.7908	1.7908
H8	3.2595	2.1815	1.1048	4.8678	3.6002	2.6281	1.7908		1.7861
H9	3.2595	2.1815	1.1048	4.8678	3.6002	2.6281	1.7908	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.668	C1	C2	H6	119.598
C2	C1	Cl4	122.623	C2	C1	H5	124.852
C2	C3	H7	111.126	C2	C3	H8	110.564
C2	C3	H9	110.564	C3	C2	H6	117.734
Cl4	C1	H5	112.525	H7	C3	H8	108.311
H7	C3	H9	108.311	H8	C3	H9	107.858

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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