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	hartrees
Energy at 0K	-577.557261
Energy at 298.15K	-577.562249
Nuclear repulsion energy	142.481133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3220	3112	17.21
2	A	3162	3055	11.92
3	A	3146	3040	2.77
4	A	3134	3028	8.55
5	A	3090	2986	18.85
6	A	1712	1654	1.10
7	A	1501	1450	6.67
8	A	1459	1410	8.71
9	A	1335	1290	3.37
10	A	1302	1258	39.34
11	A	1239	1198	1.75
12	A	1129	1091	2.32
13	A	1026	991	15.54
14	A	956	923	40.22
15	A	954	922	13.03
16	A	914	883	6.74
17	A	733	708	67.19
18	A	589	570	15.36
19	A	406	393	1.18
20	A	283	273	7.05
21	A	109	105	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	2.226	-0.215	-0.305
C2	1.141	-0.106	0.456
C3	-0.024	0.753	0.109
Cl4	-1.551	-0.245	-0.104
H5	2.317	0.308	-1.253
H6	3.068	-0.831	-0.008
H7	1.072	-0.650	1.394
H8	-0.266	1.461	0.902
H9	0.121	1.289	-0.826

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3296	2.4847	3.7828	1.0863	1.0845	2.1000	3.2368	2.6397
C2	1.3296		1.4886	2.7534	2.1148	2.1102	1.0872	2.1525	2.1520
C3	2.4847	1.4886		1.8372	2.7449	3.4763	2.1957	1.0893	1.0881
Cl4	3.7828	2.7534	1.8372		4.0728	4.6571	3.0478	2.3608	2.3818
H5	1.0863	2.1148	2.7449	4.0728		1.8469	3.0783	3.5559	2.4430
H6	1.0845	2.1102	3.4763	4.6571	1.8469		2.4462	4.1467	3.7217
H7	2.1000	1.0872	2.1957	3.0478	3.0783	2.4462		2.5468	3.0978
H8	3.2368	2.1525	1.0893	2.3608	3.5559	4.1467	2.5468		1.7793
H9	2.6397	2.1520	1.0881	2.3818	2.4430	3.7217	3.0978	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.585	C1	C2	H7	120.329
C2	C1	H5	121.853	C2	C1	H6	121.552
C2	C3	Cl4	111.336	C2	C3	H8	112.304
C2	C3	H9	112.341	C3	C2	H7	116.082
Cl4	C3	H8	104.638	Cl4	C3	H9	106.175
H5	C1	H6	116.595	H8	C3	H9	109.599

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: B3LYP/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	-0.411
2	C	-0.124
3	C	-0.523
4	Cl	-0.106
5	H	0.209
6	H	0.217
7	H	0.212
8	H	0.266
9	H	0.261

	x	y	z	Total
	2.092	1.057	0.282	2.361
CHELPG
AIM
ESP

	x	y	z
x	9.515	0.077	-0.768
y	0.077	4.944	-0.257
z	-0.768	-0.257	5.197

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)