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	hartrees
Energy at 0K	-576.049779
Energy at 298.15K	-576.054872
HF Energy	-576.049779
Nuclear repulsion energy	146.385005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3380	3063	9.72
2	A'	3296	2987	13.06
3	A'	3271	2965	5.47
4	A'	3165	2869	28.34
5	A'	1845	1672	18.43
6	A'	1601	1451	4.74
7	A'	1543	1399	1.42
8	A'	1470	1332	40.44
9	A'	1358	1231	0.10
10	A'	1185	1074	0.53
11	A'	989	896	21.49
12	A'	803	728	49.85
13	A'	602	546	2.22
14	A'	241	219	1.17
15	A"	3207	2907	24.58
16	A"	1605	1455	6.59
17	A"	1172	1062	2.69
18	A"	1075	974	1.88
19	A"	787	714	50.45
20	A"	446	404	1.50
21	A"	129	117	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.889	0.000
C2	-1.234	0.420	0.000
C3	-1.722	-0.990	0.000
Cl4	1.481	-0.059	0.000
H5	0.174	1.952	0.000
H6	-2.004	1.178	0.000
H7	-0.918	-1.706	0.000
H8	-2.344	-1.170	0.877
H9	-2.344	-1.170	-0.877

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3200	2.5485	1.7579	1.0777	2.0252	2.7524	3.2407	3.2407
C2	1.3200		1.4915	2.7564	2.0813	1.0814	2.1487	2.1280	2.1280
C3	2.5485	1.4915		3.3357	3.5003	2.1863	1.0766	1.0898	1.0898
Cl4	1.7579	2.7564	3.3357		2.3980	3.6982	2.9103	4.0784	4.0784
H5	1.0777	2.0813	3.5003	2.3980		2.3121	3.8179	4.1061	4.1061
H6	2.0252	1.0814	2.1863	3.6982	2.3121		3.0819	2.5296	2.5296
H7	2.7524	2.1487	1.0766	2.9103	3.8179	3.0819		1.7573	1.7573
H8	3.2407	2.1280	1.0898	4.0784	4.1061	2.5296	1.7573		1.7535
H9	3.2407	2.1280	1.0898	4.0784	4.1061	2.5296	1.7573	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.938	C1	C2	H6	114.623
C2	C1	Cl4	126.568	C2	C1	H5	120.128
C2	C3	H7	112.582	C2	C3	H8	110.072
C2	C3	H9	110.072	C3	C2	H6	115.439
Cl4	C1	H5	113.304	H7	C3	H8	108.413
H7	C3	H9	108.413	H8	C3	H9	107.116

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

using model chemistry: HF/Def2TZVPP

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	-0.007
2	C	-0.135
3	C	-0.106
4	Cl	-0.125
5	H	0.094
6	H	0.075
7	H	0.076
8	H	0.064
9	H	0.064

	x	y	z	Total
	-1.820	0.475	0.000	1.881
CHELPG
AIM
ESP

	x	y	z
x	9.443	0.421	0.000
y	0.421	6.531	0.000
z	0.000	0.000	4.986

<r²>	119.954
(<r²>)^1/2	10.952

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

using model chemistry: HF/Def2TZVPP

States and conformations

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