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	hartrees
Energy at 0K	-577.531071
Energy at 298.15K	-577.535940
Nuclear repulsion energy	145.901925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3099	10.46
2	A'	3176	3031	13.87
3	A'	3159	3015	2.84
4	A'	3056	2917	21.28
5	A'	1732	1653	21.49
6	A'	1503	1435	6.81
7	A'	1433	1368	5.58
8	A'	1367	1305	35.86
9	A'	1271	1213	1.28
10	A'	1110	1059	1.84
11	A'	955	911	23.75
12	A'	769	734	54.79
13	A'	571	545	1.25
14	A'	227	216	0.75
15	A"	3108	2966	18.67
16	A"	1506	1437	11.44
17	A"	1069	1021	0.66
18	A"	957	913	1.08
19	A"	714	682	64.01
20	A"	408	390	2.11
21	A"	108	103	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.911	0.000
C2	-1.234	0.428	0.000
C3	-1.658	-0.999	0.000
Cl4	1.441	-0.063	0.000
H5	0.224	1.969	0.000
H6	-2.022	1.178	0.000
H7	-0.809	-1.681	0.000
H8	-2.273	-1.218	0.878
H9	-2.273	-1.218	-0.878

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3253	2.5294	1.7398	1.0808	2.0394	2.7151	3.2360	3.2360
C2	1.3253		1.4887	2.7201	2.1213	1.0876	2.1510	2.1354	2.1354
C3	2.5294	1.4887		3.2375	3.5141	2.2070	1.0889	1.0939	1.0939
Cl4	1.7398	2.7201	3.2375		2.3682	3.6788	2.7712	3.9876	3.9876
H5	1.0808	2.1213	3.5141	2.3682		2.3813	3.7925	4.1428	4.1428
H6	2.0394	1.0876	2.2070	3.6788	2.3813		3.1051	2.5641	2.5641
H7	2.7151	2.1510	1.0889	2.7712	3.7925	3.1051		1.7685	1.7685
H8	3.2360	2.1354	1.0939	3.9876	4.1428	2.5641	1.7685		1.7552
H9	3.2360	2.1354	1.0939	3.9876	4.1428	2.5641	1.7685	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.931	C1	C2	H6	115.032
C2	C1	Cl4	124.557	C2	C1	H5	123.366
C2	C3	H7	112.205	C2	C3	H8	110.631
C2	C3	H9	110.631	C3	C2	H6	117.038
Cl4	C1	H5	112.077	H7	C3	H8	108.238
H7	C3	H9	108.238	H8	C3	H9	106.697

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

using model chemistry: mPW1PW91/6-311G*

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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Number	Element	Mulliken
1	C	-0.322
2	C	-0.148
3	C	-0.691
4	Cl	-0.068
5	H	0.272
6	H	0.220
7	H	0.258
8	H	0.239
9	H	0.239

	x	y	z
x	9.236	0.252	0.000
y	0.252	6.166	0.000
z	0.000	0.000	3.786

<r²>	120.280
(<r²>)^1/2	10.967

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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