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	hartrees
Energy at 0K	-576.642992
Energy at 298.15K	-576.648033
HF Energy	-576.026432
Nuclear repulsion energy	143.133539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3103	13.04
2	A	3190	3043	7.28
3	A	3170	3025	6.52
4	A	3160	3015	4.49
5	A	3110	2967	19.53
6	A	1718	1639	1.11
7	A	1501	1432	3.45
8	A	1467	1400	8.47
9	A	1353	1291	31.47
10	A	1319	1259	10.43
11	A	1253	1195	1.34
12	A	1146	1093	1.50
13	A	1020	973	19.77
14	A	966	921	4.66
15	A	939	896	36.23
16	A	923	880	5.41
17	A	783	747	47.59
18	A	612	584	5.03
19	A	406	387	0.57
20	A	291	278	3.81
21	A	104	99	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	2.228	-0.181	-0.312
C2	1.125	-0.150	0.446
C3	-0.047	0.739	0.154
Cl4	-1.537	-0.236	-0.121
H5	2.321	0.434	-1.205
H6	3.068	-0.823	-0.062
H7	1.041	-0.778	1.331
H8	-0.265	1.399	0.997
H9	0.124	1.335	-0.744

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3384	2.4975	3.7701	1.0881	1.0862	2.1130	3.2282	2.6292
C2	1.3384		1.4993	2.7231	2.1203	2.1178	1.0888	2.1524	2.1500
C3	2.4975	1.4993		1.8016	2.7472	3.4909	2.2066	1.0922	1.0913
Cl4	3.7701	2.7231	1.8016		4.0629	4.6423	3.0076	2.3535	2.3691
H5	1.0881	2.1203	2.7472	4.0629		1.8555	3.0884	3.5304	2.4193
H6	1.0862	2.1178	3.4909	4.6423	1.8555		2.4599	4.1429	3.7133
H7	2.1130	1.0888	2.2066	3.0076	3.0884	2.4599		2.5605	3.1002
H8	3.2282	2.1524	1.0922	2.3535	3.5304	4.1429	2.5605		1.7844
H9	2.6292	2.1500	1.0913	2.3691	2.4193	3.7133	3.1002	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.213	C1	C2	H7	120.700
C2	C1	H5	121.463	C2	C1	H6	121.380
C2	C3	Cl4	110.841	C2	C3	H8	111.343
C2	C3	H9	111.204	C3	C2	H7	116.085
Cl4	C3	H8	106.241	Cl4	C3	H9	107.403
H5	C1	H6	117.156	H8	C3	H9	109.614

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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