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	hartrees
Energy at 0K	-576.552912
Energy at 298.15K	-576.557819
HF Energy	-575.980967
Nuclear repulsion energy	146.055437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3099	9.17
2	A'	3260	3046	9.41
3	A'	3248	3035	2.41
4	A'	3132	2927	16.08
5	A'	1732	1618	18.93
6	A'	1547	1446	2.63
7	A'	1470	1374	2.55
8	A'	1401	1309	33.23
9	A'	1295	1210	1.86
10	A'	1132	1057	1.00
11	A'	973	909	18.44
12	A'	797	745	37.13
13	A'	578	540	0.61
14	A'	233	218	0.98
15	A"	3211	3000	14.66
16	A"	1548	1447	6.34
17	A"	1095	1023	0.97
18	A"	961	898	0.87
19	A"	730	682	43.06
20	A"	402	376	2.21
21	A"	108	101	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.913	0.000
C2	-1.242	0.424	0.000
C3	-1.645	-1.013	0.000
Cl4	1.437	-0.055	0.000
H5	0.208	1.971	0.000
H6	-2.033	1.164	0.000
H7	-0.778	-1.666	0.000
H8	-2.249	-1.241	0.877
H9	-2.249	-1.241	-0.877

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3351	2.5328	1.7323	1.0780	2.0481	2.6944	3.2352	3.2352
C2	1.3351		1.4921	2.7214	2.1204	1.0832	2.1411	2.1339	2.1339
C3	2.5328	1.4921		3.2272	3.5122	2.2117	1.0853	1.0893	1.0893
Cl4	1.7323	2.7214	3.2272		2.3693	3.6774	2.7394	3.9700	3.9700
H5	1.0780	2.1204	3.5122	2.3693		2.3811	3.7687	4.1376	4.1376
H6	2.0481	1.0832	2.2117	3.6774	2.3811		3.0963	2.5692	2.5692
H7	2.6944	2.1411	1.0853	2.7394	3.7687	3.0963		1.7646	1.7646
H8	3.2352	2.1339	1.0893	3.9700	4.1376	2.5692	1.7646		1.7545
H9	3.2352	2.1339	1.0893	3.9700	4.1376	2.5692	1.7646	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.151	C1	C2	H6	115.363
C2	C1	Cl4	124.537	C2	C1	H5	122.610
C2	C3	H7	111.369	C2	C3	H8	110.542
C2	C3	H9	110.542	C3	C2	H6	117.486
Cl4	C1	H5	112.853	H7	C3	H8	108.483
H7	C3	H9	108.483	H8	C3	H9	107.295

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

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(Z))

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

States and conformations

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