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	hartrees
Energy at 0K	-570.409688
Energy at 298.15K	-570.410740
HF Energy	-570.050679
Nuclear repulsion energy	85.748587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2992	28.63
2	A'	1660	1579	228.31
3	A'	1401	1333	48.64
4	A'	661	628	228.09
5	A'	403	384	47.59
6	A"	968	921	3.21

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		1.2164	1.8289	1.0886
O2	1.2164		2.7017	2.0809
Cl3	1.8289	2.7017		2.3895
H4	1.0886	2.0809	2.3895

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.795		O2	C1	H4	128.967
Cl3	C1	H4	107.237

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

using model chemistry: MP2/3-21G*

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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