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	hartrees
Energy at 0K	-576.640989
Energy at 298.15K	-576.645820
HF Energy	-575.992344
Nuclear repulsion energy	141.833871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3088	8.23
2	A'	3241	3061	3.39
3	A'	3202	3025	8.65
4	A'	3099	2927	14.79
5	A'	1700	1606	16.98
6	A'	1519	1434	8.98
7	A'	1432	1353	1.88
8	A'	1329	1256	2.72
9	A'	1281	1210	16.32
10	A'	1131	1068	0.60
11	A'	986	931	33.15
12	A'	831	785	27.76
13	A'	431	407	3.41
14	A'	259	244	0.74
15	A"	3179	3003	8.36
16	A"	1508	1425	6.31
17	A"	1073	1013	0.36
18	A"	984	929	37.52
19	A"	781	738	0.19
20	A"	241	227	0.08
21	A"	204	193	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.468	0.000
C2	0.915	-0.505	0.000
C3	2.393	-0.238	0.000
Cl4	-1.708	0.129	0.000
H5	0.246	1.521	0.000
H6	0.584	-1.537	0.000
H7	2.608	0.831	0.000
H8	2.875	-0.678	0.876
H9	2.875	-0.678	-0.876

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3353	2.4949	1.7414	1.0816	2.0877	2.6336	3.2164	3.2164
C2	1.3353		1.5014	2.6991	2.1328	1.0844	2.1562	2.1534	2.1534
C3	2.4949	1.5014		4.1176	2.7751	2.2274	1.0902	1.0927	1.0927
Cl4	1.7414	2.6991	4.1176		2.3995	2.8333	4.3733	4.7353	4.7353
H5	1.0816	2.1328	2.7751	2.3995		3.0761	2.4608	3.5372	3.5372
H6	2.0877	1.0844	2.2274	2.8333	3.0761		3.1153	2.5989	2.5989
H7	2.6336	2.1562	1.0902	4.3733	2.4608	3.1153		1.7653	1.7653
H8	3.2164	2.1534	1.0927	4.7353	3.5372	2.5989	1.7653		1.7528
H9	3.2164	2.1534	1.0927	4.7353	3.5372	2.5989	1.7653	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.058	C1	C2	H6	118.900
C2	C1	Cl4	122.071	C2	C1	H5	123.548
C2	C3	H7	111.622	C2	C3	H8	111.239
C2	C3	H9	111.239	C3	C2	H6	118.042
Cl4	C1	H5	114.382	H7	C3	H8	107.939
H7	C3	H9	107.939	H8	C3	H9	106.648

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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