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	hartrees
Energy at 0K	-576.688429
Energy at 298.15K	-576.693328
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3098	7.13
2	A'	3209	3034	7.14
3	A'	3195	3021	2.42
4	A'	3089	2921	14.05
5	A'	1736	1641	13.68
6	A'	1518	1435	3.13
7	A'	1448	1369	2.64
8	A'	1375	1300	33.60
9	A'	1273	1204	0.35
10	A'	1112	1052	0.46
11	A'	956	904	17.11
12	A'	779	737	38.11
13	A'	570	539	0.63
14	A'	230	218	1.00
15	A"	3150	2978	12.16
16	A"	1520	1437	5.74
17	A"	1081	1022	0.88
18	A"	969	916	0.47
19	A"	727	687	36.99
20	A"	405	383	1.71
21	A"	114	107	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.896	0.000
C2	-1.245	0.413	0.000
C3	-1.720	-1.008	0.000
Cl4	1.484	-0.048	0.000
H5	0.177	1.967	0.000
H6	-2.028	1.168	0.000
H7	-0.901	-1.718	0.000
H8	-2.343	-1.200	0.880
H9	-2.343	-1.200	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3360	2.5662	1.7594	1.0849	2.0460	2.7653	3.2652	3.2652
C2	1.3360		1.4978	2.7683	2.1064	1.0876	2.1584	2.1406	2.1406
C3	2.5662	1.4978		3.3451	3.5279	2.1975	1.0843	1.0956	1.0956
Cl4	1.7594	2.7683	3.3451		2.4023	3.7168	2.9115	4.0929	4.0929
H5	1.0849	2.1064	3.5279	2.4023		2.3446	3.8391	4.1418	4.1418
H6	2.0460	1.0876	2.1975	3.7168	2.3446		3.0983	2.5462	2.5462
H7	2.7653	2.1584	1.0843	2.9115	3.8391	3.0983		1.7675	1.7675
H8	3.2652	2.1406	1.0956	4.0929	4.1418	2.5462	1.7675		1.7610
H9	3.2652	2.1406	1.0956	4.0929	4.1418	2.5462	1.7675	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.711	C1	C2	H6	114.787
C2	C1	Cl4	126.296	C2	C1	H5	120.589
C2	C3	H7	112.432	C2	C3	H8	110.292
C2	C3	H9	110.292	C3	C2	H6	115.502
Cl4	C1	H5	113.115	H7	C3	H8	108.342
H7	C3	H9	108.342	H8	C3	H9	106.956

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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