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	hartrees
Energy at 0K	-34.524577
Energy at 298.15K	-34.529366
HF Energy	-34.030461
Nuclear repulsion energy	58.193138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3087	9.74
2	A'	3224	3060	10.62
3	A'	3189	3027	21.81
4	A'	3084	2928	29.87
5	A'	1699	1613	19.87
6	A'	1518	1441	11.23
7	A'	1450	1377	2.79
8	A'	1330	1263	4.38
9	A'	1283	1218	15.54
10	A'	1143	1086	0.70
11	A'	986	936	34.08
12	A'	836	794	31.83
13	A'	425	404	3.91
14	A'	259	246	0.52
15	A"	3171	3010	23.63
16	A"	1503	1427	10.11
17	A"	1081	1027	2.26
18	A"	973	924	80.52
19	A"	762	723	1.13
20	A"	238	226	0.51
21	A"	201	191	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.465	0.000
C2	0.925	-0.540	0.000
C3	2.419	-0.255	0.000
Cl4	-1.724	0.153	0.000
H5	0.253	1.530	0.000
H6	0.584	-1.582	0.000
H7	2.617	0.830	0.000
H8	2.898	-0.698	0.892
H9	2.898	-0.698	-0.892

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3663	2.5236	1.7525	1.0940	2.1285	2.6425	3.2479	3.2479
C2	1.3663		1.5202	2.7387	2.1759	1.0961	2.1770	2.1710	2.1710
C3	2.5236	1.5202		4.1630	2.8060	2.2639	1.1031	1.1054	1.1054
Cl4	1.7525	2.7387	4.1630		2.4097	2.8872	4.3941	4.7841	4.7841
H5	1.0940	2.1759	2.8060	2.4097		3.1286	2.4653	3.5712	3.5712
H6	2.1285	1.0961	2.2639	2.8872	3.1286		3.1543	2.6329	2.6329
H7	2.6425	2.1770	1.1031	4.3941	2.4653	3.1543		1.7914	1.7914
H8	3.2479	2.1710	1.1054	4.7841	3.5712	2.6329	1.7914		1.7840
H9	3.2479	2.1710	1.1054	4.7841	3.5712	2.6329	1.7914	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.829	C1	C2	H6	119.228
C2	C1	Cl4	122.353	C2	C1	H5	123.984
C2	C3	H7	111.173	C2	C3	H8	110.559
C2	C3	H9	110.559	C3	C2	H6	118.943
Cl4	C1	H5	113.663	H7	C3	H8	108.417
H7	C3	H9	108.417	H8	C3	H9	107.604

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

using model chemistry: MP2/CEP-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(E))

using model chemistry: MP2/CEP-31G*

States and conformations

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