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	hartrees
Energy at 0K	-576.547108
Energy at 298.15K	-576.551943
HF Energy	-575.972749
Nuclear repulsion energy	141.532546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3076	9.14
2	A'	3233	3034	7.27
3	A'	3186	2989	14.84
4	A'	3099	2908	19.88
5	A'	1768	1659	17.15
6	A'	1553	1457	9.51
7	A'	1480	1389	2.31
8	A'	1365	1280	4.45
9	A'	1329	1247	13.27
10	A'	1156	1085	1.09
11	A'	1005	943	26.15
12	A'	846	794	29.81
13	A'	436	409	3.72
14	A'	267	250	0.75
15	A"	3167	2971	16.56
16	A"	1540	1445	7.45
17	A"	1104	1036	0.27
18	A"	984	924	49.64
19	A"	783	735	0.45
20	A"	240	225	0.19
21	A"	195	183	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	0.918	-0.503	0.000
C3	2.401	-0.243	0.000
Cl4	-1.714	0.132	0.000
H5	0.243	1.521	0.000
H6	0.589	-1.540	0.000
H7	2.623	0.827	0.000
H8	2.883	-0.685	0.879
H9	2.883	-0.685	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3350	2.5036	1.7462	1.0831	2.0902	2.6478	3.2264	3.2264
C2	1.3350		1.5059	2.7077	2.1343	1.0873	2.1627	2.1604	2.1604
C3	2.5036	1.5059		4.1322	2.7875	2.2286	1.0927	1.0954	1.0954
Cl4	1.7462	2.7077	4.1322		2.3999	2.8457	4.3923	4.7513	4.7513
H5	1.0831	2.1343	2.7875	2.3999		3.0805	2.4792	3.5511	3.5511
H6	2.0902	1.0873	2.2286	2.8457	3.0805		3.1209	2.6015	2.6015
H7	2.6478	2.1627	1.0927	4.3923	2.4792	3.1209		1.7680	1.7680
H8	3.2264	2.1604	1.0954	4.7513	3.5511	2.6015	1.7680		1.7574
H9	3.2264	2.1604	1.0954	4.7513	3.5511	2.6015	1.7680	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.481	C1	C2	H6	118.930
C2	C1	Cl4	122.430	C2	C1	H5	123.591
C2	C3	H7	111.677	C2	C3	H8	111.327
C2	C3	H9	111.327	C3	C2	H6	117.589
Cl4	C1	H5	113.978	H7	C3	H8	107.802
H7	C3	H9	107.802	H8	C3	H9	106.675

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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