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	hartrees
Energy at 0K	-574.682205
Energy at 298.15K	-574.687113
Nuclear repulsion energy	145.627554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3113	6.01
2	A'	3171	3042	6.61
3	A'	3151	3023	1.92
4	A'	3050	2926	12.79
5	A'	1712	1643	16.20
6	A'	1541	1478	6.56
7	A'	1458	1399	12.23
8	A'	1394	1337	28.48
9	A'	1294	1241	0.84
10	A'	1123	1077	0.43
11	A'	947	908	25.01
12	A'	750	720	47.78
13	A'	574	551	2.31
14	A'	236	226	0.99
15	A"	3102	2976	12.31
16	A"	1548	1485	12.73
17	A"	1101	1057	0.08
18	A"	982	943	1.27
19	A"	731	702	71.96
20	A"	409	392	3.06
21	A"	116	111	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.926	0.000
C2	-1.239	0.445	0.000
C3	-1.644	-1.000	0.000
Cl4	1.435	-0.076	0.000
H5	0.230	1.984	0.000
H6	-2.044	1.180	0.000
H7	-0.769	-1.655	0.000
H8	-2.254	-1.226	0.885
H9	-2.254	-1.226	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3293	2.5320	1.7498	1.0825	2.0592	2.6936	3.2392	3.2392
C2	1.3293		1.5003	2.7243	2.1276	1.0895	2.1525	2.1457	2.1457
C3	2.5320	1.5003		3.2144	3.5232	2.2161	1.0934	1.0983	1.0983
Cl4	1.7498	2.7243	3.2144		2.3859	3.6980	2.7115	3.9636	3.9636
H5	1.0825	2.1276	3.5232	2.3859		2.4115	3.7739	4.1538	4.1538
H6	2.0592	1.0895	2.2161	3.6980	2.4115		3.1088	2.5721	2.5721
H7	2.6936	2.1525	1.0934	2.7115	3.7739	3.1088		1.7810	1.7810
H8	3.2392	2.1457	1.0983	3.9636	4.1538	2.5721	1.7810		1.7701
H9	3.2392	2.1457	1.0983	3.9636	4.1538	2.5721	1.7810	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.859	C1	C2	H6	116.363
C2	C1	Cl4	123.867	C2	C1	H5	123.484
C2	C3	H7	111.205	C2	C3	H8	110.367
C2	C3	H9	110.367	C3	C2	H6	116.778
Cl4	C1	H5	112.649	H7	C3	H8	108.705
H7	C3	H9	108.705	H8	C3	H9	107.387

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

using model chemistry: B3PW91/3-21G*

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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Number	Element	Mulliken
1	C	-0.352
2	C	-0.185
3	C	-0.674
4	Cl	0.001
5	H	0.260
6	H	0.234
7	H	0.248
8	H	0.234
9	H	0.234

	x	y	z	Total
	-1.790	0.469	0.000	1.851
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/3-21G*

States and conformations

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