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	hartrees
Energy at 0K	-131.157374
Energy at 298.15K	-131.162549
Nuclear repulsion energy	96.184398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3445	3100	29.90
2	A	3411	3069	11.74
3	A	3385	3047	3.86
4	A	3339	3005	11.01
5	A	3325	2992	28.00
6	A	1841	1657	1.18
7	A	1639	1475	8.33
8	A	1593	1433	15.14
9	A	1450	1305	4.02
10	A	1421	1279	48.55
11	A	1339	1205	0.33
12	A	1217	1095	1.77
13	A	1152	1036	2.51
14	A	1123	1010	95.06
15	A	1030	927	12.78
16	A	1001	901	5.59
17	A	786	707	78.67
18	A	609	548	34.52
19	A	432	389	3.09
20	A	301	271	9.22
21	A	113	102	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	2.242	-0.236	-0.299
C2	1.153	-0.093	0.457
C3	-0.002	0.781	0.089
Cl4	-1.571	-0.251	-0.097
H5	2.349	0.259	-1.248
H6	3.059	-0.857	0.013
H7	1.072	-0.612	1.394
H8	-0.252	1.489	0.859
H9	0.126	1.273	-0.858

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3331	2.4937	3.8185	1.0750	1.0732	2.0921	3.2456	2.6582
C2	1.3331		1.4945	2.7848	2.1117	2.1009	1.0742	2.1534	2.1565
C3	2.4937	1.4945		1.8879	2.7542	3.4726	2.1902	1.0752	1.0746
Cl4	3.8185	2.7848	1.8879		4.1175	4.6714	3.0564	2.3837	2.4048
H5	1.0750	2.1117	2.7542	4.1175		1.8272	3.0605	3.5660	2.4747
H6	1.0732	2.1009	3.4726	4.6714	1.8272		2.4323	4.1450	3.7284
H7	2.0921	1.0742	2.1902	3.0564	3.0605	2.4323		2.5397	3.0853
H8	3.2456	2.1534	1.0752	2.3837	3.5660	4.1450	2.5397		1.7712
H9	2.6582	2.1565	1.0746	2.4048	2.4747	3.7284	3.0853	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.645	C1	C2	H7	120.312
C2	C1	H5	122.185	C2	C1	H6	121.263
C2	C3	Cl4	110.297	C2	C3	H8	112.843
C2	C3	H9	113.141	C3	C2	H7	116.039
Cl4	C3	H8	103.703	Cl4	C3	H9	105.202
H5	C1	H6	116.552	H8	C3	H9	110.955

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

using model chemistry: HF/LANL2DZ

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	-0.450
2	C	0.019
3	C	-0.479
4	Cl	-0.155
5	H	0.188
6	H	0.202
7	H	0.209
8	H	0.238
9	H	0.227

	x	y	z	Total
	2.700	1.453	0.285	3.079
CHELPG
AIM
ESP

	x	y	z
x	8.609	0.354	-1.114
y	0.354	4.013	-0.140
z	-1.114	-0.140	4.326

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/LANL2DZ

States and conformations

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