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	hartrees
Energy at 0K	-576.641512
Energy at 298.15K	-576.646402
HF Energy	-575.991933
Nuclear repulsion energy	146.166960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3103	6.34
2	A'	3229	3050	4.15
3	A'	3216	3038	2.55
4	A'	3105	2933	10.30
5	A'	1703	1609	16.70
6	A'	1512	1428	3.25
7	A'	1432	1353	3.71
8	A'	1360	1285	32.52
9	A'	1264	1194	0.81
10	A'	1105	1044	0.73
11	A'	958	905	19.74
12	A'	787	743	38.54
13	A'	570	538	0.46
14	A'	230	217	1.01
15	A"	3180	3003	7.59
16	A"	1515	1431	6.36
17	A"	1070	1011	0.62
18	A"	957	904	0.35
19	A"	723	683	38.62
20	A"	404	381	2.25
21	A"	112	106	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	-1.246	0.407	0.000
C3	-1.711	-1.014	0.000
Cl4	1.479	-0.043	0.000
H5	0.178	1.967	0.000
H6	-2.029	1.160	0.000
H7	-0.885	-1.716	0.000
H8	-2.332	-1.212	0.879
H9	-2.332	-1.212	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3386	2.5649	1.7525	1.0843	2.0462	2.7591	3.2648	3.2648
C2	1.3386		1.4954	2.7614	2.1119	1.0866	2.1539	2.1388	2.1388
C3	2.5649	1.4954		3.3337	3.5289	2.1974	1.0839	1.0944	1.0944
Cl4	1.7525	2.7614	3.3337		2.3941	3.7086	2.8956	4.0814	4.0814
H5	1.0843	2.1119	3.5289	2.3941		2.3503	3.8333	4.1447	4.1447
H6	2.0462	1.0866	2.1974	3.7086	2.3503		3.0956	2.5479	2.5479
H7	2.7591	2.1539	1.0839	2.8956	3.8333	3.0956		1.7664	1.7664
H8	3.2648	2.1388	1.0944	4.0814	4.1447	2.5479	1.7664		1.7580
H9	3.2648	2.1388	1.0944	4.0814	4.1447	2.5479	1.7664	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.579	C1	C2	H6	114.676
C2	C1	Cl4	126.070	C2	C1	H5	120.933
C2	C3	H7	112.266	C2	C3	H8	110.396
C2	C3	H9	110.396	C3	C2	H6	115.745
Cl4	C1	H5	112.997	H7	C3	H8	108.368
H7	C3	H9	108.368	H8	C3	H9	106.866

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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