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	hartrees
Energy at 0K	-34.277864
Energy at 298.15K	-34.282577
HF Energy	-33.968803
Nuclear repulsion energy	58.487889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3119	12.93
2	A'	3111	3037	22.76
3	A'	3097	3022	3.58
4	A'	2975	2904	29.69
5	A'	1631	1592	20.50
6	A'	1523	1486	3.97
7	A'	1464	1428	4.80
8	A'	1357	1324	45.60
9	A'	1265	1235	0.02
10	A'	1104	1078	0.59
11	A'	935	913	17.43
12	A'	715	698	33.27
13	A'	535	522	2.05
14	A'	219	214	1.26
15	A"	3063	2990	30.05
16	A"	1508	1471	10.01
17	A"	1087	1061	3.30
18	A"	882	861	0.54
19	A"	697	680	74.59
20	A"	359	351	1.28
21	A"	81	79	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.957	0.000
C2	-1.279	0.482	0.000
C3	-1.731	-0.980	0.000
Cl4	1.495	-0.116	0.000
H5	0.272	2.012	0.000
H6	-2.063	1.249	0.000
H7	-0.869	-1.662	0.000
H8	-2.346	-1.192	0.891
H9	-2.346	-1.192	-0.891

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3647	2.5982	1.8401	1.0893	2.0839	2.7592	3.3044	3.3044
C2	1.3647		1.5300	2.8377	2.1790	1.0975	2.1822	2.1760	2.1760
C3	2.5982	1.5300		3.3400	3.6008	2.2541	1.0994	1.1035	1.1035
Cl4	1.8401	2.8377	3.3400		2.4542	3.8111	2.8243	4.0875	4.0875
H5	1.0893	2.1790	3.6008	2.4542		2.4566	3.8467	4.2327	4.2327
H6	2.0839	1.0975	2.2541	3.8111	2.4566		3.1467	2.6146	2.6146
H7	2.7592	2.1822	1.0994	2.8243	3.8467	3.1467		1.7883	1.7883
H8	3.3044	2.1760	1.1035	4.0875	4.2327	2.6146	1.7883		1.7829
H9	3.3044	2.1760	1.1035	4.0875	4.2327	2.6146	1.7883	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.585	C1	C2	H6	115.206
C2	C1	Cl4	123.936	C2	C1	H5	124.854
C2	C3	H7	111.125	C2	C3	H8	110.383
C2	C3	H9	110.383	C3	C2	H6	117.209
Cl4	C1	H5	111.210	H7	C3	H8	108.544
H7	C3	H9	108.544	H8	C3	H9	107.768

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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