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	hartrees
Energy at 0K	-576.705474
Energy at 298.15K	-576.710333
HF Energy	-576.026235
Nuclear repulsion energy	145.858153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3099	9.13
2	A'	3207	3042	8.85
3	A'	3194	3030	2.53
4	A'	3084	2925	16.64
5	A'	1700	1613	21.43
6	A'	1505	1428	4.71
7	A'	1432	1359	3.19
8	A'	1368	1298	32.17
9	A'	1268	1202	2.23
10	A'	1110	1053	2.61
11	A'	959	910	19.69
12	A'	792	751	39.78
13	A'	571	542	0.45
14	A'	229	217	0.62
15	A"	3155	2993	13.78
16	A"	1505	1427	8.54
17	A"	1070	1015	1.63
18	A"	942	893	0.85
19	A"	713	676	53.44
20	A"	394	374	2.05
21	A"	98	93	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.914	0.000
C2	-1.243	0.423	0.000
C3	-1.644	-1.018	0.000
Cl4	1.437	-0.052	0.000
H5	0.207	1.976	0.000
H6	-2.037	1.167	0.000
H7	-0.775	-1.675	0.000
H8	-2.251	-1.245	0.882
H9	-2.251	-1.245	-0.882

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3369	2.5372	1.7321	1.0820	2.0526	2.7028	3.2415	3.2415
C2	1.3369		1.4955	2.7223	2.1255	1.0880	2.1496	2.1387	2.1387
C3	2.5372	1.4955		3.2292	3.5205	2.2198	1.0901	1.0943	1.0943
Cl4	1.7321	2.7223	3.2292		2.3724	3.6819	2.7432	3.9755	3.9755
H5	1.0820	2.1255	3.5205	2.3724		2.3859	3.7811	4.1470	4.1470
H6	2.0526	1.0880	2.2198	3.6819	2.3859		3.1097	2.5767	2.5767
H7	2.7028	2.1496	1.0901	2.7432	3.7811	3.1097		1.7730	1.7730
H8	3.2415	2.1387	1.0943	3.9755	4.1470	2.5767	1.7730		1.7637
H9	3.2415	2.1387	1.0943	3.9755	4.1470	2.5767	1.7730	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.126	C1	C2	H6	115.277
C2	C1	Cl4	124.503	C2	C1	H5	122.619
C2	C3	H7	111.519	C2	C3	H8	110.388
C2	C3	H9	110.388	C3	C2	H6	117.597
Cl4	C1	H5	112.878	H7	C3	H8	108.520
H7	C3	H9	108.520	H8	C3	H9	107.384

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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