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	hartrees
Energy at 0K	-576.786598
Energy at 298.15K	-576.791495
HF Energy	-576.053327
Nuclear repulsion energy	145.930550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3106	7.74
2	A'	3182	3041	7.58
3	A'	3160	3019	4.30
4	A'	3057	2921	18.98
5	A'	1724	1647	16.11
6	A'	1505	1438	3.85
7	A'	1437	1373	3.03
8	A'	1372	1311	32.44
9	A'	1266	1210	0.31
10	A'	1110	1061	0.56
11	A'	953	911	17.14
12	A'	774	740	37.71
13	A'	568	543	0.79
14	A'	227	217	1.04
15	A"	3113	2974	15.23
16	A"	1509	1442	5.90
17	A"	1079	1031	2.07
18	A"	965	922	0.39
19	A"	721	689	44.09
20	A"	406	387	1.68
21	A"	111	106	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.896	0.000
C2	-1.245	0.413	0.000
C3	-1.720	-1.007	0.000
Cl4	1.484	-0.049	0.000
H5	0.176	1.964	0.000
H6	-2.024	1.168	0.000
H7	-0.900	-1.713	0.000
H8	-2.342	-1.200	0.879
H9	-2.342	-1.200	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3356	2.5648	1.7589	1.0825	2.0425	2.7593	3.2632	3.2632
C2	1.3356		1.4967	2.7677	2.1036	1.0854	2.1534	2.1392	2.1392
C3	2.5648	1.4967		3.3441	3.5240	2.1963	1.0825	1.0939	1.0939
Cl4	1.7589	2.7677	3.3441		2.4003	3.7132	2.9069	4.0907	4.0907
H5	1.0825	2.1036	3.5240	2.4003		2.3393	3.8307	4.1377	4.1377
H6	2.0425	1.0854	2.1963	3.7132	2.3393		3.0930	2.5462	2.5462
H7	2.7593	2.1534	1.0825	2.9069	3.8307	3.0930		1.7651	1.7651
H8	3.2632	2.1392	1.0939	4.0907	4.1377	2.5462	1.7651		1.7580
H9	3.2632	2.1392	1.0939	4.0907	4.1377	2.5462	1.7651	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.707	C1	C2	H6	114.664
C2	C1	Cl4	126.322	C2	C1	H5	120.548
C2	C3	H7	112.211	C2	C3	H8	110.360
C2	C3	H9	110.360	C3	C2	H6	115.629
Cl4	C1	H5	113.129	H7	C3	H8	108.394
H7	C3	H9	108.394	H8	C3	H9	106.949

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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