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	hartrees
Energy at 0K	-34.822939
Energy at 298.15K	-34.827742
Nuclear repulsion energy	58.887229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3132	11.75
2	A'	3122	3042	20.53
3	A'	3101	3022	4.13
4	A'	2990	2913	31.58
5	A'	1670	1627	21.93
6	A'	1507	1468	6.66
7	A'	1440	1403	7.36
8	A'	1337	1303	47.71
9	A'	1251	1219	0.02
10	A'	1096	1068	0.38
11	A'	937	913	21.09
12	A'	709	691	53.50
13	A'	535	521	4.90
14	A'	217	212	1.49
15	A"	3054	2976	31.93
16	A"	1513	1474	12.93
17	A"	1077	1050	0.88
18	A"	943	919	2.39
19	A"	709	691	78.59
20	A"	392	382	1.64
21	A"	107	104	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.954	0.000
C2	-1.264	0.486	0.000
C3	-1.722	-0.958	0.000
Cl4	1.484	-0.127	0.000
H5	0.286	2.000	0.000
H6	-2.042	1.255	0.000
H7	-0.877	-1.652	0.000
H8	-2.342	-1.165	0.884
H9	-2.342	-1.165	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3478	2.5736	1.8364	1.0839	2.0640	2.7495	3.2796	3.2796
C2	1.3478		1.5155	2.8158	2.1662	1.0936	2.1728	2.1608	2.1608
C3	2.5736	1.5155		3.3123	3.5752	2.2361	1.0935	1.0995	1.0995
Cl4	1.8364	2.8158	3.3123		2.4412	3.7874	2.8103	4.0618	4.0618
H5	1.0839	2.1662	3.5752	2.4412		2.4442	3.8321	4.2071	4.2071
H6	2.0640	1.0936	2.2361	3.7874	2.4442		3.1314	2.5931	2.5931
H7	2.7495	2.1728	1.0935	2.8103	3.8321	3.1314		1.7797	1.7797
H8	3.2796	2.1608	1.0995	4.0618	4.2071	2.5931	1.7797		1.7686
H9	3.2796	2.1608	1.0995	4.0618	4.2071	2.5931	1.7797	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.911	C1	C2	H6	115.040
C2	C1	Cl4	123.609	C2	C1	H5	125.611
C2	C3	H7	111.763	C2	C3	H8	110.433
C2	C3	H9	110.433	C3	C2	H6	117.049
Cl4	C1	H5	110.780	H7	C3	H8	108.492
H7	C3	H9	108.492	H8	C3	H9	107.083

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

using model chemistry: B3LYP/CEP-121G

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	-0.421
2	C	0.190
3	C	-0.609
4	Cl	-0.009
5	H	0.185
6	H	0.152
7	H	0.184
8	H	0.165
9	H	0.165

	x	y	z	Total
	-2.194	0.686	0.000	2.299
CHELPG
AIM
ESP

	x	y	z
x	9.567	0.043	0.000
y	0.043	6.304	0.000
z	0.000	0.000	3.807

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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