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	hartrees
Energy at 0K	-576.553054
Energy at 298.15K	-576.557931
HF Energy	-576.003208
Nuclear repulsion energy	145.038111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3110	7.71
2	A'	3215	3062	7.24
3	A'	3201	3049	2.24
4	A'	3085	2939	18.29
5	A'	1704	1623	19.96
6	A'	1481	1411	3.80
7	A'	1414	1347	3.29
8	A'	1350	1285	31.65
9	A'	1252	1192	1.02
10	A'	1099	1047	1.33
11	A'	956	910	18.35
12	A'	785	748	38.15
13	A'	566	539	0.50
14	A'	228	217	1.02
15	A"	3166	3015	12.14
16	A"	1485	1415	6.97
17	A"	1058	1008	1.12
18	A"	939	894	0.53
19	A"	712	678	42.69
20	A"	397	378	2.52
21	A"	116	111	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.922	0.000
C2	-1.251	0.424	0.000
C3	-1.648	-1.023	0.000
Cl4	1.443	-0.054	0.000
H5	0.206	1.996	0.000
H6	-2.052	1.175	0.000
H7	-0.768	-1.681	0.000
H8	-2.261	-1.256	0.888
H9	-2.261	-1.256	-0.888

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3468	2.5499	1.7423	1.0928	2.0673	2.7146	3.2626	3.2626
C2	1.3468		1.5005	2.7362	2.1435	1.0978	2.1599	2.1515	2.1515
C3	2.5499	1.5005		3.2397	3.5429	2.2346	1.0993	1.1036	1.1036
Cl4	1.7423	2.7362	3.2397		2.3938	3.7046	2.7452	3.9940	3.9940
H5	1.0928	2.1435	3.5429	2.3938		2.4028	3.8038	4.1770	4.1770
H6	2.0673	1.0978	2.2346	3.7046	2.4028		3.1315	2.5960	2.5960
H7	2.7146	2.1599	1.0993	2.7452	3.8038	3.1315		1.7886	1.7886
H8	3.2626	2.1515	1.1036	3.9940	4.1770	2.5960	1.7886		1.7759
H9	3.2626	2.1515	1.1036	3.9940	4.1770	2.5960	1.7886	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.079	C1	C2	H6	115.110
C2	C1	Cl4	124.186	C2	C1	H5	122.613
C2	C3	H7	111.431	C2	C3	H8	110.499
C2	C3	H9	110.499	C3	C2	H6	117.812
Cl4	C1	H5	113.201	H7	C3	H8	108.571
H7	C3	H9	108.571	H8	C3	H9	107.141

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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