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	hartrees
Energy at 0K	-576.573636
Energy at 298.15K	-576.578533
HF Energy	-575.980946
Nuclear repulsion energy	145.480612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3106	10.81
2	A'	3230	3041	13.98
3	A'	3217	3028	3.11
4	A'	3108	2926	20.81
5	A'	1747	1645	14.59
6	A'	1546	1455	2.38
7	A'	1475	1388	1.68
8	A'	1404	1322	34.69
9	A'	1295	1219	0.83
10	A'	1130	1064	0.71
11	A'	967	910	15.14
12	A'	785	739	36.37
13	A'	573	540	0.86
14	A'	233	219	0.98
15	A"	3173	2987	20.92
16	A"	1546	1455	5.41
17	A"	1096	1032	1.28
18	A"	961	904	0.93
19	A"	728	685	40.41
20	A"	399	375	1.58
21	A"	110	104	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.918	0.000
C2	-1.243	0.430	0.000
C3	-1.656	-1.012	0.000
Cl4	1.443	-0.060	0.000
H5	0.214	1.976	0.000
H6	-2.038	1.169	0.000
H7	-0.793	-1.674	0.000
H8	-2.263	-1.233	0.880
H9	-2.263	-1.233	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3354	2.5429	1.7432	1.0792	2.0531	2.7108	3.2440	3.2440
C2	1.3354		1.4999	2.7306	2.1243	1.0852	2.1518	2.1403	2.1403
C3	2.5429	1.4999		3.2422	3.5246	2.2142	1.0876	1.0917	1.0917
Cl4	1.7432	2.7306	3.2422		2.3777	3.6915	2.7584	3.9861	3.9861
H5	1.0792	2.1243	3.5246	2.3777		2.3920	3.7864	4.1483	4.1483
H6	2.0531	1.0852	2.2142	3.6915	2.3920		3.1038	2.5683	2.5683
H7	2.7108	2.1518	1.0876	2.7584	3.7864	3.1038		1.7691	1.7691
H8	3.2440	2.1403	1.0917	3.9861	4.1483	2.5683	1.7691		1.7597
H9	3.2440	2.1403	1.0917	3.9861	4.1483	2.5683	1.7691	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.408	C1	C2	H6	115.644
C2	C1	Cl4	124.458	C2	C1	H5	122.880
C2	C3	H7	111.537	C2	C3	H8	110.362
C2	C3	H9	110.362	C3	C2	H6	116.948
Cl4	C1	H5	112.662	H7	C3	H8	108.529
H7	C3	H9	108.529	H8	C3	H9	107.400

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

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-chloro-1-propene(Z))

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

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))