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	hartrees
Energy at 0K	-576.225787
Energy at 298.15K	-576.230539
HF Energy	-575.903984
Nuclear repulsion energy	137.985385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3101	6.70
2	A'	3202	3042	7.49
3	A'	3143	2987	18.99
4	A'	3056	2904	23.86
5	A'	1695	1610	22.07
6	A'	1568	1489	9.47
7	A'	1492	1418	2.43
8	A'	1363	1295	1.24
9	A'	1309	1243	26.34
10	A'	1139	1082	2.80
11	A'	991	941	15.79
12	A'	763	725	34.30
13	A'	407	386	5.46
14	A'	256	243	0.73
15	A"	3133	2977	20.65
16	A"	1553	1475	8.13
17	A"	1124	1068	0.13
18	A"	987	938	64.43
19	A"	785	745	1.49
20	A"	230	218	0.19
21	A"	188	178	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.469	0.000
C2	0.992	-0.437	0.000
C3	2.460	-0.052	0.000
Cl4	-1.771	-0.004	0.000
H5	0.130	1.547	0.000
H6	0.752	-1.501	0.000
H7	2.580	1.040	0.000
H8	2.970	-0.452	0.888
H9	2.970	-0.452	-0.888

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3434	2.5142	1.8334	1.0856	2.1084	2.6427	3.2338	3.2338
C2	1.3434		1.5171	2.7971	2.1630	1.0909	2.1687	2.1679	2.1679
C3	2.5142	1.5171		4.2312	2.8259	2.2396	1.0988	1.0994	1.0994
Cl4	1.8334	2.7971	4.2312		2.4534	2.9336	4.4751	4.8444	4.8444
H5	1.0856	2.1630	2.8259	2.4534		3.1105	2.5025	3.5851	3.5851
H6	2.1084	1.0909	2.2396	2.9336	3.1105		3.1305	2.6090	2.6090
H7	2.6427	2.1687	1.0988	4.4751	2.5025	3.1305		1.7798	1.7798
H8	3.2338	2.1679	1.0994	4.8444	3.5851	2.6090	1.7798		1.7751
H9	3.2338	2.1679	1.0994	4.8444	3.5851	2.6090	1.7798	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.916	C1	C2	H6	119.666
C2	C1	Cl4	122.649	C2	C1	H5	125.537
C2	C3	H7	110.991	C2	C3	H8	110.892
C2	C3	H9	110.892	C3	C2	H6	117.418
Cl4	C1	H5	111.814	H7	C3	H8	108.131
H7	C3	H9	108.131	H8	C3	H9	107.675

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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