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	hartrees
Energy at 0K	-576.019124
Energy at 298.15K	-576.024192
Nuclear repulsion energy	145.886575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3078	14.15
2	A'	3315	2999	19.56
3	A'	3291	2977	7.42
4	A'	3186	2882	32.77
5	A'	1859	1681	16.66
6	A'	1619	1464	5.46
7	A'	1557	1408	1.07
8	A'	1476	1335	46.25
9	A'	1366	1236	0.25
10	A'	1193	1079	1.36
11	A'	993	898	20.87
12	A'	801	725	57.31
13	A'	601	544	2.87
14	A'	243	220	0.79
15	A"	3229	2921	34.74
16	A"	1622	1467	9.21
17	A"	1174	1062	2.17
18	A"	1070	968	2.53
19	A"	785	710	60.50
20	A"	440	398	1.51
21	A"	118	107	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.909	0.000
C2	-1.226	0.437	0.000
C3	-1.673	-0.994	0.000
Cl4	1.446	-0.069	0.000
H5	0.224	1.955	0.000
H6	-2.003	1.183	0.000
H7	-0.843	-1.684	0.000
H8	-2.286	-1.194	0.874
H9	-2.286	-1.194	-0.874

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3134	2.5337	1.7459	1.0704	2.0221	2.7268	3.2266	3.2266
C2	1.3134		1.4987	2.7192	2.0999	1.0783	2.1552	2.1323	2.1323
C3	2.5337	1.4987		3.2536	3.5070	2.2020	1.0800	1.0856	1.0856
Cl4	1.7459	2.7192	3.2536		2.3648	3.6700	2.8017	3.9945	3.9945
H5	1.0704	2.0999	3.5070	2.3648		2.3577	3.7931	4.1213	4.1213
H6	2.0221	1.0783	2.2020	3.6700	2.3577		3.0937	2.5488	2.5488
H7	2.7268	2.1552	1.0800	2.8017	3.7931	3.0937		1.7563	1.7563
H8	3.2266	2.1323	1.0856	3.9945	4.1213	2.5488	1.7563		1.7473
H9	3.2266	2.1323	1.0856	3.9945	4.1213	2.5488	1.7563	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.456	C1	C2	H6	115.089
C2	C1	Cl4	124.857	C2	C1	H5	123.172
C2	C3	H7	112.373	C2	C3	H8	110.174
C2	C3	H9	110.174	C3	C2	H6	116.455
Cl4	C1	H5	111.971	H7	C3	H8	108.391
H7	C3	H9	108.391	H8	C3	H9	107.175

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

using model chemistry: HF/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	-0.290
2	C	-0.162
3	C	-0.641
4	Cl	-0.113
5	H	0.278
6	H	0.226
7	H	0.253
8	H	0.225
9	H	0.225

	x	y	z	Total
	-2.050	0.555	0.000	2.124
CHELPG
AIM
ESP

	x	y	z
x	8.978	0.247	0.000
y	0.247	5.786	0.000
z	0.000	0.000	3.677

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311G*

States and conformations

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