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	hartrees
Energy at 0K	-576.565089
Energy at 298.15K	-576.570152
HF Energy	-575.979605
Nuclear repulsion energy	143.390962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3326	3119	13.83
2	A	3256	3053	6.97
3	A	3232	3030	12.27
4	A	3228	3026	0.71
5	A	3165	2967	18.72
6	A	1767	1656	0.69
7	A	1546	1450	3.02
8	A	1504	1410	5.85
9	A	1370	1285	21.37
10	A	1348	1264	20.19
11	A	1275	1195	0.79
12	A	1162	1090	0.85
13	A	1039	974	16.30
14	A	981	920	5.50
15	A	961	901	32.63
16	A	936	878	4.30
17	A	800	750	42.89
18	A	620	582	4.41
19	A	411	386	0.55
20	A	294	276	3.77
21	A	103	96	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	2.227	-0.174	-0.313
C2	1.128	-0.157	0.443
C3	-0.045	0.728	0.161
Cl4	-1.539	-0.232	-0.122
H5	2.320	0.446	-1.195
H6	3.067	-0.810	-0.073
H7	1.049	-0.793	1.317
H8	-0.260	1.384	1.002
H9	0.124	1.333	-0.725

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3346	2.4907	3.7711	1.0825	1.0806	2.1041	3.2164	2.6200
C2	1.3346		1.4959	2.7266	2.1139	2.1110	1.0836	2.1478	2.1428
C3	2.4907	1.4959		1.7978	2.7411	3.4799	2.2011	1.0879	1.0870
Cl4	3.7711	2.7266	1.7978		4.0618	4.6425	3.0135	2.3476	2.3621
H5	1.0825	2.1139	2.7411	4.0618		1.8428	3.0757	3.5163	2.4140
H6	1.0806	2.1110	3.4799	4.6425	1.8428		2.4508	4.1283	3.6987
H7	2.1041	1.0836	2.2011	3.0135	3.0757	2.4508		2.5596	3.0895
H8	3.2164	2.1478	1.0879	2.3476	3.5163	4.1283	2.5596		1.7704
H9	2.6200	2.1428	1.0870	2.3621	2.4140	3.6987	3.0895	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.171	C1	C2	H7	120.594
C2	C1	H5	121.648	C2	C1	H6	121.505
C2	C3	Cl4	111.421	C2	C3	H8	111.473
C2	C3	H9	111.129	C3	C2	H7	116.232
Cl4	C3	H8	106.265	Cl4	C3	H9	107.358
H5	C1	H6	116.846	H8	C3	H9	108.983

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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