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	hartrees
Energy at 0K	-34.571922
Energy at 298.15K	-34.576673
HF Energy	-34.043222
Nuclear repulsion energy	58.576167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3082	10.74
2	A'	3206	3055	8.23
3	A'	3168	3018	18.28
4	A'	3063	2918	28.11
5	A'	1672	1593	21.22
6	A'	1530	1458	10.93
7	A'	1453	1384	2.69
8	A'	1326	1264	4.35
9	A'	1291	1230	14.68
10	A'	1131	1078	0.99
11	A'	980	934	31.85
12	A'	832	793	32.89
13	A'	427	406	3.82
14	A'	259	247	0.60
15	A"	3149	3000	19.50
16	A"	1513	1441	8.81
17	A"	1072	1022	1.43
18	A"	941	896	63.12
19	A"	715	681	0.90
20	A"	232	221	0.51
21	A"	188	179	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	0.927	-0.514	0.000
C3	2.410	-0.220	0.000
Cl4	-1.720	0.125	0.000
H5	0.232	1.523	0.000
H6	0.603	-1.554	0.000
H7	2.599	0.858	0.000
H8	2.890	-0.655	0.884
H9	2.890	-0.655	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3456	2.5045	1.7524	1.0867	2.1038	2.6287	3.2215	3.2215
C2	1.3456		1.5121	2.7228	2.1524	1.0893	2.1628	2.1574	2.1574
C3	2.5045	1.5121		4.1443	2.7896	2.2463	1.0943	1.0959	1.0959
Cl4	1.7524	2.7228	4.1443		2.4006	2.8664	4.3802	4.7579	4.7579
H5	1.0867	2.1524	2.7896	2.4006		3.0995	2.4584	3.5481	3.5481
H6	2.1038	1.0893	2.2463	2.8664	3.0995		3.1307	2.6113	2.6113
H7	2.6287	2.1628	1.0943	4.3802	2.4584	3.1307		1.7764	1.7764
H8	3.2215	2.1574	1.0959	4.7579	3.5481	2.6113	1.7764		1.7682
H9	3.2215	2.1574	1.0959	4.7579	3.5481	2.6113	1.7764	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.318	C1	C2	H6	119.171
C2	C1	Cl4	122.479	C2	C1	H5	124.142
C2	C3	H7	111.142	C2	C3	H8	110.612
C2	C3	H9	110.612	C3	C2	H6	118.512
Cl4	C1	H5	113.380	H7	C3	H8	108.402
H7	C3	H9	108.402	H8	C3	H9	107.555

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

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

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