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	hartrees
Energy at 0K	-576.823983
Energy at 298.15K	-576.828856
HF Energy	-576.053529
Nuclear repulsion energy	142.461497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3094	7.86
2	A'	3235	3072	4.71
3	A'	3170	3010	11.65
4	A'	3087	2930	19.48
5	A'	1708	1622	17.72
6	A'	1516	1439	9.86
7	A'	1425	1353	2.29
8	A'	1326	1259	2.41
9	A'	1282	1218	17.09
10	A'	1135	1078	0.23
11	A'	988	938	34.50
12	A'	833	791	26.51
13	A'	432	410	3.21
14	A'	259	246	0.69
15	A"	3150	2990	10.20
16	A"	1505	1429	7.07
17	A"	1080	1025	1.26
18	A"	991	941	46.26
19	A"	803	762	0.25
20	A"	246	234	0.16
21	A"	210	199	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	0.917	-0.498	0.000
C3	2.384	-0.223	0.000
Cl4	-1.703	0.120	0.000
H5	0.248	1.508	0.000
H6	0.591	-1.524	0.000
H7	2.584	0.843	0.000
H8	2.865	-0.657	0.873
H9	2.865	-0.657	-0.873

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3278	2.4803	1.7375	1.0742	2.0725	2.6119	3.1971	3.1971
C2	1.3278		1.4922	2.6919	2.1142	1.0767	2.1395	2.1403	2.1403
C3	2.4803	1.4922		4.1013	2.7490	2.2150	1.0848	1.0872	1.0872
Cl4	1.7375	2.6919	4.1013		2.3947	2.8220	4.3480	4.7149	4.7149
H5	1.0742	2.1142	2.7490	2.3947		3.0510	2.4288	3.5065	3.5065
H6	2.0725	1.0767	2.2150	2.8220	3.0510		3.0944	2.5852	2.5852
H7	2.6119	2.1395	1.0848	4.3480	2.4288	3.0944		1.7582	1.7582
H8	3.1971	2.1403	1.0872	4.7149	3.5065	2.5852	1.7582		1.7463
H9	3.1971	2.1403	1.0872	4.7149	3.5065	2.5852	1.7582	1.7463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.063	C1	C2	H6	118.700
C2	C1	Cl4	122.284	C2	C1	H5	122.980
C2	C3	H7	111.256	C2	C3	H8	111.179
C2	C3	H9	111.179	C3	C2	H6	118.237
Cl4	C1	H5	114.737	H7	C3	H8	108.094
H7	C3	H9	108.094	H8	C3	H9	106.858

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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