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	hartrees
Energy at 0K	-569.665664
Energy at 298.15K	-569.670623
Nuclear repulsion energy	145.023973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3078	0.78
2	A'	3736	3050	14.34
3	A'	3692	3014	39.03
4	A'	3569	2914	0.42
5	A'	2059	1681	7.49
6	A'	1812	1479	1.91
7	A'	1721	1405	0.74
8	A'	1583	1293	49.41
9	A'	1433	1170	0.28
10	A'	1273	1040	1.31
11	A'	1096	895	8.81
12	A'	901	736	35.82
13	A'	638	521	0.47
14	A'	241	197	2.04
15	A"	3732	3048	0.01
16	A"	1810	1478	4.66
17	A"	1277	1043	0.14
18	A"	1158	946	1.16
19	A"	837	683	14.24
20	A"	458	374	2.47
21	A"	124	101	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.934	0.000
C2	-1.229	0.479	0.000
C3	-1.669	-0.974	0.000
Cl4	1.443	-0.108	0.000
H5	0.254	1.988	0.000
H6	-2.026	1.217	0.000
H7	-0.812	-1.639	0.000
H8	-2.275	-1.180	0.879
H9	-2.275	-1.180	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3109	2.5352	1.7797	1.0837	2.0457	2.6984	3.2280	3.2280
C2	1.3109		1.5181	2.7356	2.1156	1.0862	2.1587	2.1494	2.1494
C3	2.5352	1.5181		3.2298	3.5312	2.2203	1.0846	1.0878	1.0878
Cl4	1.7797	2.7356	3.2298		2.4096	3.7132	2.7253	3.9679	3.9679
H5	1.0837	2.1156	3.5312	2.4096		2.4064	3.7802	4.1478	4.1478
H6	2.0457	1.0862	2.2203	3.7132	2.4064		3.1036	2.5657	2.5657
H7	2.6984	2.1587	1.0846	2.7253	3.7802	3.1036		1.7677	1.7677
H8	3.2280	2.1494	1.0878	3.9679	4.1478	2.5657	1.7677		1.7588
H9	3.2280	2.1494	1.0878	3.9679	4.1478	2.5657	1.7677	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.156	C1	C2	H6	116.857
C2	C1	Cl4	123.830	C2	C1	H5	123.858
C2	C3	H7	110.975	C2	C3	H8	110.038
C2	C3	H9	110.038	C3	C2	H6	115.986
Cl4	C1	H5	112.312	H7	C3	H8	108.917
H7	C3	H9	108.917	H8	C3	H9	107.887

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

using model chemistry: HF/STO-3G

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	-0.028
2	C	-0.036
3	C	-0.186
4	Cl	-0.162
5	H	0.097
6	H	0.079
7	H	0.085
8	H	0.075
9	H	0.075

	x	y	z	Total
	-2.255	0.863	0.000	2.414
CHELPG
AIM
ESP

	x	y	z
x	5.163	0.047	0.000
y	0.047	2.984	0.000
z	0.000	0.000	1.202

<r²>	119.693
(<r²>)^1/2	10.940

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

using model chemistry: HF/STO-3G

States and conformations

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