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	hartrees
Energy at 0K	-576.533220
Energy at 298.15K	-576.538092
HF Energy	-575.972065
Nuclear repulsion energy	145.244956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3102	9.90
2	A'	3186	3034	13.26
3	A'	3172	3021	2.50
4	A'	3068	2922	18.95
5	A'	1741	1658	13.93
6	A'	1538	1464	3.65
7	A'	1471	1401	3.16
8	A'	1399	1332	32.70
9	A'	1294	1232	0.78
10	A'	1129	1075	0.55
11	A'	967	921	16.98
12	A'	785	748	37.37
13	A'	574	547	0.80
14	A'	233	222	1.00
15	A"	3127	2978	18.90
16	A"	1538	1464	7.27
17	A"	1095	1043	0.82
18	A"	950	905	0.83
19	A"	724	690	45.97
20	A"	401	382	1.81
21	A"	104	99	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.893	0.000
C2	-1.250	0.413	0.000
C3	-1.729	-1.006	0.000
Cl4	1.491	-0.049	0.000
H5	0.173	1.969	0.000
H6	-2.036	1.171	0.000
H7	-0.910	-1.721	0.000
H8	-2.353	-1.196	0.884
H9	-2.353	-1.196	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3396	2.5685	1.7640	1.0892	2.0545	2.7677	3.2690	3.2690
C2	1.3396		1.4972	2.7803	2.1088	1.0920	2.1602	2.1417	2.1417
C3	2.5685	1.4972		3.3596	3.5307	2.1990	1.0870	1.0989	1.0989
Cl4	1.7640	2.7803	3.3596		2.4102	3.7321	2.9258	4.1086	4.1086
H5	1.0892	2.1088	3.5307	2.4102		2.3480	3.8449	4.1450	4.1450
H6	2.0545	1.0920	2.1990	3.7321	2.3480		3.1034	2.5473	2.5473
H7	2.7677	2.1602	1.0870	2.9258	3.8449	3.1034		1.7720	1.7720
H8	3.2690	2.1417	1.0989	4.1086	4.1450	2.5473	1.7720		1.7679
H9	3.2690	2.1417	1.0989	4.1086	4.1450	2.5473	1.7720	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.669	C1	C2	H6	114.952
C2	C1	Cl4	126.690	C2	C1	H5	120.159
C2	C3	H7	112.457	C2	C3	H8	110.225
C2	C3	H9	110.225	C3	C2	H6	115.379
Cl4	C1	H5	113.151	H7	C3	H8	108.324
H7	C3	H9	108.324	H8	C3	H9	107.111

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))