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	hartrees
Energy at 0K	-573.465507
Energy at 298.15K	-573.470373
HF Energy	-573.137352
Nuclear repulsion energy	142.468612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3144	3.22
2	A'	3191	3046	6.31
3	A'	3175	3032	1.95
4	A'	3088	2949	11.05
5	A'	1695	1619	16.92
6	A'	1588	1516	2.91
7	A'	1495	1427	6.67
8	A'	1399	1336	45.83
9	A'	1294	1236	1.59
10	A'	1131	1080	1.59
11	A'	934	892	14.45
12	A'	707	675	35.00
13	A'	532	508	5.95
14	A'	235	225	1.40
15	A"	3147	3005	13.26
16	A"	1594	1522	9.65
17	A"	1138	1087	0.18
18	A"	983	939	0.97
19	A"	736	703	64.51
20	A"	399	381	2.45
21	A"	114	109	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.968	0.000
C2	-1.254	0.520	0.000
C3	-1.711	-0.924	0.000
Cl4	1.471	-0.165	0.000
H5	0.305	2.003	0.000
H6	-2.035	1.279	0.000
H7	-0.849	-1.596	0.000
H8	-2.321	-1.129	0.887
H9	-2.321	-1.129	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3317	2.5504	1.8568	1.0797	2.0586	2.7002	3.2510	3.2510
C2	1.3317		1.5142	2.8102	2.1520	1.0893	2.1537	2.1548	2.1548
C3	2.5504	1.5142		3.2713	3.5541	2.2270	1.0924	1.0958	1.0958
Cl4	1.8568	2.8102	3.2713		2.4625	3.7921	2.7260	4.0119	4.0119
H5	1.0797	2.1520	3.5541	2.4625		2.4491	3.7795	4.1825	4.1825
H6	2.0586	1.0893	2.2270	3.7921	2.4491		3.1098	2.5825	2.5825
H7	2.7002	2.1537	1.0924	2.7260	3.7795	3.1098		1.7802	1.7802
H8	3.2510	2.1548	1.0958	4.0119	4.1825	2.5825	1.7802		1.7738
H9	3.2510	2.1548	1.0958	4.0119	4.1825	2.5825	1.7802	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.203	C1	C2	H6	116.135
C2	C1	Cl4	122.757	C2	C1	H5	126.040
C2	C3	H7	110.390	C2	C3	H8	110.272
C2	C3	H9	110.272	C3	C2	H6	116.662
Cl4	C1	H5	111.202	H7	C3	H8	108.893
H7	C3	H9	108.893	H8	C3	H9	108.066

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

using model chemistry: MP2=FULL/3-21G

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(Z))

using model chemistry: MP2=FULL/3-21G

States and conformations

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