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	hartrees
Energy at 0K	-33.971819
Energy at 298.15K	-33.976859
Nuclear repulsion energy	59.457280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3405	3107	13.92
2	A'	3299	3011	23.11
3	A'	3283	2995	3.87
4	A'	3156	2880	37.26
5	A'	1818	1659	17.57
6	A'	1626	1484	7.88
7	A'	1567	1430	3.62
8	A'	1456	1329	60.65
9	A'	1359	1241	0.42
10	A'	1195	1090	0.43
11	A'	999	911	18.69
12	A'	762	695	60.68
13	A'	580	530	6.76
14	A'	236	215	1.53
15	A"	3226	2944	38.29
16	A"	1631	1488	13.08
17	A"	1191	1086	1.57
18	A"	1074	980	5.53
19	A"	792	723	83.76
20	A"	434	396	1.55
21	A"	109	100	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.940	0.000
C2	-1.247	0.475	0.000
C3	-1.711	-0.963	0.000
Cl4	1.472	-0.114	0.000
H5	0.269	1.976	0.000
H6	-2.018	1.230	0.000
H7	-0.883	-1.658	0.000
H8	-2.325	-1.157	0.876
H9	-2.325	-1.157	-0.876

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3306	2.5594	1.8110	1.0703	2.0388	2.7442	3.2511	3.2511
C2	1.3306		1.5111	2.7822	2.1330	1.0798	2.1637	2.1431	2.1431
C3	2.5594	1.5111		3.2950	3.5438	2.2148	1.0813	1.0870	1.0870
Cl4	1.8110	2.7822	3.2950		2.4122	3.7405	2.8165	4.0339	4.0339
H5	1.0703	2.1330	3.5438	2.4122		2.4051	3.8124	4.1604	4.1604
H6	2.0388	1.0798	2.2148	3.7405	2.4051		3.1035	2.5618	2.5618
H7	2.7442	2.1637	1.0813	2.8165	3.8124	3.1035		1.7597	1.7597
H8	3.2511	2.1431	1.0870	4.0339	4.1604	2.5618	1.7597		1.7527
H9	3.2511	2.1431	1.0870	4.0339	4.1604	2.5618	1.7597	1.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.379	C1	C2	H6	115.121
C2	C1	Cl4	123.930	C2	C1	H5	125.001
C2	C3	H7	112.093	C2	C3	H8	110.085
C2	C3	H9	110.085	C3	C2	H6	116.500
Cl4	C1	H5	111.069	H7	C3	H8	108.497
H7	C3	H9	108.497	H8	C3	H9	107.451

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

using model chemistry: HF/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	-0.408
2	C	0.165
3	C	-0.588
4	Cl	-0.067
5	H	0.205
6	H	0.171
7	H	0.194
8	H	0.163
9	H	0.163

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

using model chemistry: HF/CEP-121G

States and conformations

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