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	hartrees
Energy at 0K	-574.753575
Energy at 298.15K	-574.758506
Nuclear repulsion energy	145.920702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3100	5.70
2	A'	3191	3030	5.89
3	A'	3169	3010	1.99
4	A'	3068	2914	11.95
5	A'	1727	1640	15.65
6	A'	1548	1470	6.96
7	A'	1467	1393	12.73
8	A'	1402	1332	28.25
9	A'	1301	1235	0.87
10	A'	1130	1073	0.42
11	A'	954	906	24.82
12	A'	758	720	47.67
13	A'	580	550	2.03
14	A'	239	227	0.97
15	A"	3122	2965	11.26
16	A"	1556	1477	13.16
17	A"	1109	1053	0.08
18	A"	994	944	1.31
19	A"	738	701	73.17
20	A"	412	391	3.09
21	A"	115	109	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.925	0.000
C2	-1.237	0.445	0.000
C3	-1.639	-0.999	0.000
Cl4	1.431	-0.075	0.000
H5	0.229	1.981	0.000
H6	-2.041	1.178	0.000
H7	-0.763	-1.652	0.000
H8	-2.247	-1.226	0.884
H9	-2.247	-1.226	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3273	2.5273	1.7459	1.0808	2.0567	2.6879	3.2335	3.2335
C2	1.3273		1.4983	2.7183	2.1243	1.0878	2.1496	2.1425	2.1425
C3	2.5273	1.4983		3.2052	3.5173	2.2134	1.0919	1.0966	1.0966
Cl4	1.7459	2.7183	3.2052		2.3820	3.6911	2.7019	3.9532	3.9532
H5	1.0808	2.1243	3.5173	2.3820		2.4086	3.7666	4.1470	4.1470
H6	2.0567	1.0878	2.2134	3.6911	2.4086		3.1046	2.5689	2.5689
H7	2.6879	2.1496	1.0919	2.7019	3.7666	3.1046		1.7784	1.7784
H8	3.2335	2.1425	1.0966	3.9532	4.1470	2.5689	1.7784		1.7677
H9	3.2335	2.1425	1.0966	3.9532	4.1470	2.5689	1.7784	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.757	C1	C2	H6	116.423
C2	C1	Cl4	123.809	C2	C1	H5	123.473
C2	C3	H7	111.203	C2	C3	H8	110.355
C2	C3	H9	110.355	C3	C2	H6	116.821
Cl4	C1	H5	112.717	H7	C3	H8	108.705
H7	C3	H9	108.705	H8	C3	H9	107.415

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

using model chemistry: mPW1PW91/3-21G*

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	-0.357
2	C	-0.192
3	C	-0.683
4	Cl	0.002
5	H	0.265
6	H	0.239
7	H	0.251
8	H	0.238
9	H	0.238

	x	y	z	Total
	-1.795	0.473	0.000	1.857
CHELPG
AIM
ESP

	x	y	z
x	8.383	0.235	0.000
y	0.235	5.524	0.000
z	0.000	0.000	3.088

<r²>	119.237
(<r²>)^1/2	10.920

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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