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	hartrees
Energy at 0K	-576.684593
Energy at 298.15K	-576.689505
HF Energy	-575.992252
Nuclear repulsion energy	145.819191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3110	6.88
2	A'	3216	3047	6.88
3	A'	3203	3034	2.29
4	A'	3097	2934	12.70
5	A'	1747	1655	14.76
6	A'	1520	1440	3.12
7	A'	1451	1374	3.07
8	A'	1379	1306	32.96
9	A'	1277	1209	0.42
10	A'	1114	1055	0.44
11	A'	958	908	16.98
12	A'	783	742	36.59
13	A'	572	541	0.57
14	A'	231	219	1.02
15	A"	3162	2995	11.08
16	A"	1522	1442	5.90
17	A"	1084	1027	0.86
18	A"	976	925	0.49
19	A"	731	692	36.89
20	A"	406	385	1.85
21	A"	115	109	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.919	0.000
C2	-1.236	0.432	0.000
C3	-1.649	-1.009	0.000
Cl4	1.437	-0.062	0.000
H5	0.221	1.976	0.000
H6	-2.031	1.171	0.000
H7	-0.789	-1.677	0.000
H8	-2.260	-1.230	0.880
H9	-2.260	-1.230	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3285	2.5375	1.7401	1.0800	2.0470	2.7130	3.2399	3.2399
C2	1.3285		1.4991	2.7181	2.1230	1.0864	2.1552	2.1405	2.1405
C3	2.5375	1.4991		3.2284	3.5228	2.2141	1.0889	1.0931	1.0931
Cl4	1.7401	2.7181	3.2284		2.3738	3.6812	2.7498	3.9753	3.9753
H5	1.0800	2.1230	3.5228	2.3738		2.3914	3.7899	4.1476	4.1476
H6	2.0470	1.0864	2.2141	3.6812	2.3914		3.1075	2.5673	2.5673
H7	2.7130	2.1552	1.0889	2.7498	3.7899	3.1075		1.7712	1.7712
H8	3.2399	2.1405	1.0931	3.9753	4.1476	2.5673	1.7712		1.7592
H9	3.2399	2.1405	1.0931	3.9753	4.1476	2.5673	1.7712	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.534	C1	C2	H6	115.550
C2	C1	Cl4	124.149	C2	C1	H5	123.310
C2	C3	H7	111.790	C2	C3	H8	110.342
C2	C3	H9	110.342	C3	C2	H6	116.916
Cl4	C1	H5	112.541	H7	C3	H8	108.533
H7	C3	H9	108.533	H8	C3	H9	107.160

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

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

States and conformations

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