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	hartrees
Energy at 0K	-570.424910
Energy at 298.15K	-570.425961
HF Energy	-570.050691
Nuclear repulsion energy	85.749343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2982	28.54
2	A'	1661	1574	228.49
3	A'	1401	1328	48.77
4	A'	660	626	227.80
5	A'	403	382	47.63
6	A"	968	917	3.23

Atom	x (Å)	y (Å)
C1	0.000	0.822
O2	1.155	1.204
Cl3	-0.490	-0.940
H4	-0.915	1.412

	C1	O2	Cl3	H4
C1		1.2163	1.8290	1.0885
O2	1.2163		2.7017	2.0807
Cl3	1.8290	2.7017		2.3895
H4	1.0885	2.0807	2.3895

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.794		O2	C1	H4	128.969
Cl3	C1	H4	107.237

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: MP2=FULL/3-21G*

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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