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	hartrees
Energy at 0K	-573.695546
Energy at 298.15K	-573.700406
HF Energy	-573.244848
Nuclear repulsion energy	144.331762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3087	7.20
2	A'	3135	3013	8.78
3	A'	3117	2996	3.22
4	A'	3028	2911	14.44
5	A'	1683	1617	11.62
6	A'	1566	1505	3.05
7	A'	1478	1421	6.34
8	A'	1411	1357	28.53
9	A'	1302	1252	0.23
10	A'	1129	1085	0.54
11	A'	921	885	16.52
12	A'	739	711	32.88
13	A'	564	542	2.71
14	A'	238	229	1.03
15	A"	3077	2957	16.95
16	A"	1572	1510	8.07
17	A"	1119	1076	0.16
18	A"	968	931	0.75
19	A"	729	701	53.99
20	A"	398	382	2.33
21	A"	101	97	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	-1.249	0.453	0.000
C3	-1.663	-1.011	0.000
Cl4	1.448	-0.077	0.000
H5	0.234	1.996	0.000
H6	-2.058	1.187	0.000
H7	-0.782	-1.664	0.000
H8	-2.270	-1.236	0.890
H9	-2.270	-1.236	-0.890

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3392	2.5610	1.7676	1.0852	2.0733	2.7150	3.2651	3.2651
C2	1.3392		1.5220	2.7492	2.1400	1.0923	2.1681	2.1648	2.1648
C3	2.5610	1.5220		3.2487	3.5556	2.2338	1.0966	1.1004	1.1004
Cl4	1.7676	2.7492	3.2487		2.4022	3.7274	2.7371	3.9949	3.9949
H5	1.0852	2.1400	3.5556	2.4022		2.4307	3.7980	4.1838	4.1838
H6	2.0733	1.0923	2.2338	3.7274	2.4307		3.1238	2.5900	2.5900
H7	2.7150	2.1681	1.0966	2.7371	3.7980	3.1238		1.7860	1.7860
H8	3.2651	2.1648	1.1004	3.9949	4.1838	2.5900	1.7860		1.7804
H9	3.2651	2.1648	1.1004	3.9949	4.1838	2.5900	1.7860	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.917	C1	C2	H6	116.643
C2	C1	Cl4	123.891	C2	C1	H5	123.601
C2	C3	H7	110.731	C2	C3	H8	110.251
C2	C3	H9	110.251	C3	C2	H6	116.440
Cl4	C1	H5	112.507	H7	C3	H8	108.771
H7	C3	H9	108.771	H8	C3	H9	108.000

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

using model chemistry: QCISD/3-21G*

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

using model chemistry: QCISD/3-21G*

States and conformations

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