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	hartrees
Energy at 0K	-576.529356
Energy at 298.15K	-576.534381
HF Energy	-575.970568
Nuclear repulsion energy	142.944176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	3107	14.07
2	A	3199	3046	6.60
3	A	3178	3027	11.21
4	A	3174	3023	1.00
5	A	3118	2969	17.45
6	A	1743	1660	0.90
7	A	1535	1461	3.90
8	A	1489	1418	7.42
9	A	1358	1293	17.10
10	A	1337	1274	21.50
11	A	1264	1204	0.63
12	A	1156	1101	1.01
13	A	1024	975	18.38
14	A	975	928	6.33
15	A	948	903	35.43
16	A	933	889	5.72
17	A	784	747	47.11
18	A	613	584	5.32
19	A	410	391	0.63
20	A	293	279	4.16
21	A	102	97	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.234	-0.170	-0.312
C2	1.127	-0.165	0.439
C3	-0.043	0.729	0.170
Cl4	-1.543	-0.231	-0.125
H5	2.338	0.468	-1.189
H6	3.078	-0.816	-0.078
H7	1.041	-0.820	1.306
H8	-0.261	1.377	1.024
H9	0.123	1.349	-0.715

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3381	2.4962	3.7825	1.0893	1.0876	2.1132	3.2262	2.6319
C2	1.3381		1.4976	2.7301	2.1251	2.1205	1.0903	2.1555	2.1521
C3	2.4962	1.4976		1.8047	2.7541	3.4917	2.2065	1.0940	1.0932
Cl4	3.7825	2.7301	1.8047		4.0842	4.6581	3.0121	2.3552	2.3707
H5	1.0893	2.1251	2.7541	4.0842		1.8518	3.0929	3.5326	2.4298
H6	1.0876	2.1205	3.4917	4.6581	1.8518		2.4628	4.1440	3.7176
H7	2.1132	1.0903	2.2065	3.0121	3.0929	2.4628		2.5694	3.1038
H8	3.2262	2.1555	1.0940	2.3552	3.5326	4.1440	2.5694		1.7819
H9	2.6319	2.1521	1.0932	2.3707	2.4298	3.7176	3.1038	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.256	C1	C2	H7	120.627
C2	C1	H5	121.869	C2	C1	H6	121.562
C2	C3	Cl4	111.190	C2	C3	H8	111.611
C2	C3	H9	111.382	C3	C2	H7	116.112
Cl4	C3	H8	106.077	Cl4	C3	H9	107.224
H5	C1	H6	116.569	H8	C3	H9	109.121

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

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

States and conformations

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