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	hartrees
Energy at 0K	-576.256957
Energy at 298.15K	-576.261913
HF Energy	-575.905900
Nuclear repulsion energy	139.495273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3089	21.08
2	A	3172	3043	10.05
3	A	3152	3024	2.63
4	A	3129	3003	8.77
5	A	3099	2974	14.22
6	A	1709	1640	0.90
7	A	1535	1473	4.60
8	A	1499	1438	5.44
9	A	1358	1303	0.11
10	A	1325	1271	35.62
11	A	1253	1202	0.44
12	A	1135	1089	1.34
13	A	1015	974	18.78
14	A	964	925	8.41
15	A	955	917	41.77
16	A	918	880	2.89
17	A	727	698	47.43
18	A	574	551	9.07
19	A	405	389	0.90
20	A	280	269	4.30
21	A	98	94	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	2.259	-0.263	-0.297
C2	1.170	-0.056	0.476
C3	0.002	0.792	0.052
Cl4	-1.590	-0.260	-0.085
H5	2.348	0.163	-1.301
H6	3.101	-0.867	0.047
H7	1.100	-0.505	1.472
H8	-0.253	1.567	0.782
H9	0.145	1.232	-0.942

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3519	2.5159	3.8549	1.0943	1.0918	2.1284	3.2902	2.6681
C2	1.3519		1.5042	2.8234	2.1434	2.1384	1.0944	2.1802	2.1722
C3	2.5159	1.5042		1.9127	2.7800	3.5153	2.2146	1.0957	1.0962
Cl4	3.8549	2.8234	1.9127		4.1429	4.7322	3.1179	2.4250	2.4434
H5	1.0943	2.1434	2.7800	4.1429		1.8563	3.1130	3.6159	2.4743
H6	1.0918	2.1384	3.5153	4.7322	1.8563		2.4828	4.2090	3.7577
H7	2.1284	1.0944	2.2146	3.1179	3.1130	2.4828		2.5695	3.1232
H8	3.2902	2.1802	1.0957	2.4250	3.6159	4.2090	2.5695		1.8011
H9	2.6681	2.1722	1.0962	2.4434	2.4743	3.7577	3.1232	1.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.410	C1	C2	H7	120.565
C2	C1	H5	122.029	C2	C1	H6	121.739
C2	C3	Cl4	110.879	C2	C3	H8	113.043
C2	C3	H9	112.362	C3	C2	H7	116.024
Cl4	C3	H8	104.107	Cl4	C3	H9	105.351
H5	C1	H6	116.233	H8	C3	H9	110.514

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-)