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	hartrees
Energy at 0K	-573.692412
Energy at 298.15K	-573.697407
HF Energy	-573.243018
Nuclear repulsion energy	141.613593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3078	14.03
2	A	3152	3029	5.06
3	A	3136	3014	2.55
4	A	3120	2999	5.45
5	A	3083	2963	11.88
6	A	1690	1624	1.27
7	A	1550	1490	5.61
8	A	1513	1454	4.65
9	A	1362	1309	0.11
10	A	1338	1286	28.26
11	A	1267	1218	0.31
12	A	1146	1101	1.26
13	A	1021	981	17.12
14	A	965	927	40.24
15	A	935	899	7.72
16	A	927	891	2.87
17	A	743	715	51.34
18	A	591	568	7.20
19	A	413	397	1.10
20	A	293	281	3.90
21	A	96	92	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	2.246	-0.197	-0.309
C2	1.141	-0.138	0.453
C3	-0.037	0.760	0.138
Cl4	-1.556	-0.243	-0.115
H5	2.351	0.394	-1.220
H6	3.087	-0.840	-0.050
H7	1.046	-0.745	1.355
H8	-0.263	1.443	0.964
H9	0.127	1.327	-0.783

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3434	2.5162	3.8075	1.0912	1.0891	2.1231	3.2564	2.6532
C2	1.3434		1.5149	2.7585	2.1320	2.1285	1.0909	2.1753	2.1689
C3	2.5162	1.5149		1.8376	2.7719	3.5150	2.2174	1.0945	1.0948
Cl4	3.8075	2.7585	1.8376		4.1098	4.6815	3.0303	2.3827	2.3969
H5	1.0912	2.1320	2.7719	4.1098		1.8524	3.1030	3.5639	2.4509
H6	1.0891	2.1285	3.5150	4.6815	1.8524		2.4796	4.1784	3.7406
H7	2.1231	1.0909	2.2174	3.0303	3.1030	2.4796		2.5789	3.1158
H8	3.2564	2.1753	1.0945	2.3827	3.5639	4.1784	2.5789		1.7938
H9	2.6532	2.1689	1.0948	2.3969	2.4509	3.7406	3.1158	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.250	C1	C2	H7	121.077
C2	C1	H5	121.914	C2	C1	H6	121.750
C2	C3	Cl4	110.371	C2	C3	H8	111.942
C2	C3	H9	111.412	C3	C2	H7	115.672
Cl4	C3	H8	105.912	Cl4	C3	H9	106.904
H5	C1	H6	116.337	H8	C3	H9	110.037

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

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-Propene, 3-chloro-)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)